(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,42S,47S)-33-((2S,5S,8S,11S,14S,17S,20S,23S,26S,32S,38S)-38-amino-2,32-bis(3-amino-3-oxopropyl)-5-(4-aminobutyl)-23-benzyl-14-(carboxymethyl)-20,26-bis((R)-1-hydroxyethyl)-8,17-bis(hydroxymethyl)-39-(1H-imidazol-5-yl)-11-isobutyl-35,35-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxo-3,6,9,12,15,18,21,24,27,30,33,36-dodecaazanonatriacontanamido)-24-(3-amino-3-oxopropyl)-15-(4-aminobutyl)-9-benzyl-6-sec-butyl-3-((8S,11S,14S,17S)-1-((S)-2-((S)-1-((S)-1-(2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-1-carboxy-2-hydroxyethylcarbamoyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl)pyrrolidin-1-yl)-1-oxopropan-2-ylamino)-2-oxoethylamino)-3-hydroxy-1-oxopropan-2-ylamino)-3-hydroxy-1-oxopropan-2-ylcarbamoyl)pyrrolidin-1-yl)-18-(1H-indol-3-yl)-11,14-diisobutyl-8-methyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazaoctadecan-17-ylcarbamoyl)-27-(2-carboxyethyl)-30-(carboxymethyl)-21-(3-guanidinopropyl)-12-isobutyl-18-methyl-5,8,11,14,17,20,23,26,29,32,39,44,49-tridecaoxo-4,7,10,13,16,19,22,25,28,31,38,43,48-tridecaazapentahexacontane-1,42,47-tricarboxylic acid

ID: ALA4128194

PubChem CID: 145961751

Max Phase: Preclinical

Molecular Formula: C213H336N54O64

Molecular Weight: 4677.34

Molecule Type: Unknown

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(=O)O)C(=O)O

Standard InChI: InChI=1S/C213H336N54O64/c1-19-21-22-23-24-25-26-27-28-29-30-31-32-39-67-162(279)235-139(210(329)330)72-79-163(280)236-138(209(327)328)71-78-161(278)224-84-47-44-61-131(238-185(303)134(69-76-159(218)276)241-182(300)130(60-43-46-83-215)240-198(316)151(108-270)256-192(310)143(93-115(9)10)248-195(313)148(99-171(291)292)252-199(317)153(110-272)258-205(323)174(121(16)274)262-197(315)145(95-123-55-37-34-38-56-123)253-204(322)173(120(15)273)260-166(283)104-229-179(297)133(68-75-158(217)275)259-211(331)213(17,18)263-178(296)127(216)97-125-101-223-111-231-125)184(302)251-147(98-170(289)290)194(312)243-136(73-80-168(285)286)187(305)242-135(70-77-160(219)277)186(304)239-132(62-48-85-225-212(221)222)181(299)234-118(13)177(295)237-129(59-42-45-82-214)183(301)245-141(91-113(5)6)191(309)249-144(94-122-53-35-33-36-54-122)196(314)261-172(116(11)20-2)203(321)244-137(74-81-169(287)288)188(306)250-146(96-124-100-226-128-58-41-40-57-126(124)128)193(311)247-142(92-114(7)8)190(308)246-140(90-112(3)4)189(307)233-117(12)176(294)228-102-164(281)227-105-167(284)264-86-49-63-154(264)201(319)257-152(109-271)200(318)255-150(107-269)180(298)230-103-165(282)232-119(14)206(324)266-88-51-65-156(266)208(326)267-89-52-66-157(267)207(325)265-87-50-64-155(265)202(320)254-149(106-268)175(220)293/h33-38,40-41,53-58,100-101,111-121,127,129-157,172-174,226,268-274H,19-32,39,42-52,59-99,102-110,214-216H2,1-18H3,(H2,217,275)(H2,218,276)(H2,219,277)(H2,220,293)(H,223,231)(H,224,278)(H,227,281)(H,228,294)(H,229,297)(H,230,298)(H,232,282)(H,233,307)(H,234,299)(H,235,279)(H,236,280)(H,237,295)(H,238,303)(H,239,304)(H,240,316)(H,241,300)(H,242,305)(H,243,312)(H,244,321)(H,245,301)(H,246,308)(H,247,311)(H,248,313)(H,249,309)(H,250,306)(H,251,302)(H,252,317)(H,253,322)(H,254,320)(H,255,318)(H,256,310)(H,257,319)(H,258,323)(H,259,331)(H,260,283)(H,261,314)(H,262,315)(H,263,296)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,327,328)(H,329,330)(H4,221,222,225)/t116-,117-,118-,119-,120+,121+,127-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,172-,173-,174-/m0/s1

Standard InChI Key: QDRJYJGHSHTRLV-FWTLDDLOSA-N

Molfile:

     RDKit          2D

331339  0  0  0  0  0  0  0  0999 V2000
   -6.3661  -12.0752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0772  -12.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0744  -13.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3557  -13.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3507  -14.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0656  -14.9456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6347  -14.9430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8000  -12.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5238  -12.4760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8113  -11.2419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8319  -18.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.4353  -22.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -33.4454  -21.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -32.7357  -20.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -32.7374  -20.0932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -32.0277  -19.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -32.0378  -18.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.3281  -18.4319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -30.6082  -18.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.8985  -18.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.1787  -18.8227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -28.4689  -18.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.7532  -18.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.0351  -18.3887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -26.3237  -18.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.6139  -18.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.8941  -18.7795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -24.1983  -18.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.4785  -18.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.7688  -18.3715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -22.0448  -18.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.3351  -18.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.6152  -18.7622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.9054  -18.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1898  -18.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4801  -18.3283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7603  -18.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0505  -18.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3064  -18.7343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6209  -18.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8769  -18.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1672  -18.3003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4473  -18.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7335  -18.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0219  -18.6911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3038  -18.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5923  -18.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8826  -18.2612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1586  -18.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4489  -18.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7290  -18.6520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0192  -18.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2994  -18.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6037  -18.2398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8839  -18.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1742  -18.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4585  -18.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7404  -18.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289  -18.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3192  -18.2008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994  -18.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1152  -18.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8365  -18.5916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5470  -18.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2641  -18.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9746  -18.1576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6960  -18.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4065  -18.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1236  -18.5484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8342  -18.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5512  -18.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2618  -18.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9831  -18.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6936  -18.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4108  -18.5093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1213  -18.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8426  -18.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5531  -18.0753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2702  -18.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9655  -18.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6869  -18.4921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3974  -18.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1146  -18.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8251  -18.0581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5422  -18.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2527  -18.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9740  -18.4489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6845  -18.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4017  -18.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1122  -18.0149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5441  -17.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2611  -18.4057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9716  -17.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6888  -18.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3993  -17.9717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1207  -18.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8312  -17.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5483  -18.3666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.2589  -17.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0020  -18.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6907  -17.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8385  -17.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1739  -16.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2892  -15.8425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.5983  -15.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6288  -14.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9598  -14.1134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.9903  -13.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2994  -12.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3516  -11.9989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6607  -11.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7172  -10.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0264  -10.2697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0786   -9.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3877   -8.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4400   -8.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.8647   -7.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8518   -7.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0486   -7.2632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0527   -6.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7740   -6.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8263   -5.2697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4782   -4.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2258   -5.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9038   -4.6723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6319   -5.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3358   -4.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0792   -4.9564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2662   -3.7684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7015   -5.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4491   -6.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2694   -5.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4716   -3.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5667   -3.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1924   -4.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4649   -6.5445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3881   -5.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7533   -6.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1560   -7.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7105   -8.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9952   -6.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8830   -6.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1594   -7.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6405   -9.3650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8259   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4603  -10.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5781  -13.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7375  -12.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7897  -12.0873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3719  -14.1824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8552  -15.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1602  -15.3038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4201  -16.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5858  -16.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0889  -17.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5604  -18.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0086  -19.1909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8246  -17.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6996  -19.2189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9651  -17.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5375  -17.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4083  -19.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6779  -17.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3884  -16.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3819  -15.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1056  -17.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2461  -17.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5530  -19.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2701  -19.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0240  -19.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5730  -19.9563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1706  -20.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3768  -20.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8420  -21.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0968  -21.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8906  -22.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4254  -21.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1212  -19.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3867  -17.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1013  -16.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0906  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8052  -15.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3734  -15.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9590  -17.2565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2769  -19.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9940  -19.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5511  -19.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5730  -20.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8492  -19.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1147  -17.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8252  -16.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8186  -16.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5140  -15.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2310  -16.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2419  -16.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5424  -17.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6870  -17.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9897  -19.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7069  -19.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7176  -20.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4174  -19.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5621  -19.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8276  -17.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5381  -16.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315  -16.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2420  -15.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2312  -14.8151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3957  -17.3169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7025  -19.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2707  -19.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5404  -17.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510  -16.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401  -16.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9549  -15.6832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9441  -14.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2270  -14.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588  -14.4359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1086  -17.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893  -19.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1326  -19.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1392  -20.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604  -21.0660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5732  -21.0818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188  -19.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7547  -17.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407  -16.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550  -16.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3370  -15.7221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7665  -15.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1843  -17.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8779  -19.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1581  -19.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1564  -20.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4484  -19.4596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2936  -19.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0393  -17.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3197  -16.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3396  -16.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6299  -15.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4548  -17.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1485  -19.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4370  -19.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4269  -20.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7028  -21.1265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1366  -21.1422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5822  -19.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3140  -17.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6043  -17.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6143  -16.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8962  -15.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9106  -14.9578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7477  -17.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4414  -19.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7215  -19.9382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8752  -19.5474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6027  -17.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8888  -17.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8989  -16.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1772  -17.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0523  -17.4877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7259  -19.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0386  -19.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0243  -20.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3205  -19.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1796  -19.5755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.9156  -17.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2059  -17.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.3452  -17.5309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.0430  -19.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.3232  -20.0095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.7527  -20.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.4684  -19.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -24.2002  -17.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.4904  -17.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.5005  -16.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.7908  -15.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.0709  -16.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.0608  -17.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.7705  -17.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.6338  -17.5741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -26.3136  -19.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.5979  -20.0267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -27.0233  -20.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.7431  -19.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -29.9086  -17.5913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -30.6065  -19.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.8824  -20.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.8724  -20.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.1609  -21.2971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -30.5862  -21.3130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -32.7618  -18.4435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -31.3131  -20.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.3131  -19.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -32.0158  -21.3288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -34.1653  -20.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.1711  -20.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.5198  -19.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.7746  -18.8479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -34.6040  -18.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.8490  -19.6328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3460  -11.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6234  -10.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0567  -10.8232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9127  -11.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1903  -10.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4879  -11.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1785  -10.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4560   -9.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8892   -9.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7571  -10.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0547  -11.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7453  -10.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3323  -10.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6215  -11.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079  -10.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8174  -11.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5402  -10.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167  -10.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2209   -9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1973   -8.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015   -8.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8780   -7.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5822   -7.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586   -6.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2628   -5.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2393   -5.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9435   -4.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8406  -19.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5613  -19.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2732  -19.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5701  -20.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  2  3  1  1
  4  3  1  0
  5  4  1  0
  5  6  2  0
  7  5  1  0
  2  8  1  0
  8  9  1  0
  8 10  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 25 24  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 31 30  1  6
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  1  0
 64 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  1  0
 68 69  1  0
 69 70  1  0
 70 71  1  0
 71 72  1  0
 72 73  1  0
 73 74  1  0
 74 75  1  0
 75 76  1  0
 76 77  1  0
 77 78  1  0
 78 79  1  0
 79 80  1  0
 80 81  1  0
 81 82  1  0
 82 83  1  0
 83 84  1  0
 84 85  1  0
 85 86  1  0
 86 87  1  0
 87 88  1  0
 88 89  1  0
 89 90  1  0
 90 11  1  0
 11 91  1  0
 91 92  1  0
 92 93  1  0
 93 94  1  0
 94 95  1  0
 95 96  1  0
 96 97  1  0
 97 98  1  0
 98 99  1  0
 99100  1  0
100101  1  0
101102  1  0
102103  1  0
103104  1  0
104105  1  0
105106  1  0
106107  1  0
107108  1  0
108109  1  0
109110  1  0
110111  1  0
111112  1  0
112113  1  0
113114  1  0
114115  1  0
115116  1  0
116117  1  0
117118  1  6
118119  1  0
119120  1  0
120121  1  1
121122  1  0
122123  1  0
123124  1  0
124125  1  0
125126  1  0
126127  1  0
127128  1  0
127129  2  0
126130  1  6
130131  1  0
124132  2  0
123133  1  1
134133  1  0
135134  1  0
135122  1  0
121136  2  0
120137  1  0
138137  1  0
139138  1  0
139119  1  0
118140  2  0
117141  1  0
142141  1  0
143142  1  0
143116  1  0
115144  2  0
114145  1  6
112146  2  0
109147  2  0
108148  1  6
148149  1  0
106150  2  0
105151  1  1
151152  1  0
103153  2  0
102154  1  6
155154  1  0
156155  1  0
156101  1  0
100157  2  0
 97158  2  0
 94159  2  0
 93160  1  1
 91161  2  0
 89162  2  0
 88163  1  1
163164  1  0
164165  1  0
164166  1  0
 86167  2  0
 85168  1  6
168169  1  0
170169  2  0
171170  1  0
172171  1  0
173172  2  0
169173  1  0
174173  1  0
175174  2  0
176175  1  0
177176  2  0
172177  1  0
 83178  2  0
 82179  1  1
179180  1  0
180181  1  0
181182  2  0
181183  1  0
 80184  2  0
 79185  1  6
185186  1  1
185187  1  0
187188  1  0
 77189  2  0
 76190  1  1
190191  1  0
192191  2  0
193192  1  0
194193  2  0
195194  1  0
196195  2  0
191196  1  0
 74197  2  0
 73198  1  6
198199  1  0
199200  1  0
199201  1  0
 71202  2  0
 70203  1  1
203204  1  0
204205  1  0
205206  1  0
206207  1  0
 68208  2  0
 67209  1  6
 65210  2  0
 64211  1  1
211212  1  0
212213  1  0
213214  1  0
214215  1  0
215216  1  0
215217  2  0
 62218  2  0
 61219  1  6
219220  1  0
220221  1  0
221222  2  0
221223  1  0
 59224  2  0
 58225  1  1
225226  1  0
226227  1  0
227228  2  0
227229  1  0
 56230  2  0
 55231  1  6
231232  1  0
232233  2  0
232234  1  0
 53235  2  0
 52236  1  1
236237  1  0
237238  1  0
238239  1  0
239  7  1  0
 50240  2  0
 49241  1  6
241242  1  0
242243  1  0
243244  2  0
243245  1  0
 47246  2  0
 46247  1  1
247248  1  0
248249  1  0
249250  1  0
250251  1  0
 44252  2  0
 43253  1  6
253254  1  0
 41255  2  0
 40256  1  1
256257  1  0
257258  1  0
257259  1  0
 38260  2  0
 37261  1  6
261262  1  0
262263  2  0
262264  1  0
 35265  2  0
 34266  1  1
266267  1  0
 32268  2  0
 31269  1  0
269270  1  6
269271  1  0
 29272  2  0
 28273  1  1
273274  1  0
275274  2  0
276275  1  0
277276  2  0
278277  1  0
279278  2  0
274279  1  0
 26280  2  0
 25281  1  0
281282  1  6
281283  1  0
 23284  2  0
 20285  2  0
 19286  1  6
286287  1  0
287288  1  0
288289  2  0
288290  1  0
 17291  2  0
 16292  1  0
 16293  1  0
 14294  2  0
 13295  1  1
295296  1  0
297296  2  0
298297  1  0
299298  2  0
300299  1  0
296300  1  0
  1301  1  0
301302  1  0
301303  2  0
302304  1  0
305304  1  1
305306  1  0
305307  1  0
307308  1  0
307309  2  0
306310  1  0
310311  1  0
310312  2  0
311313  1  0
313314  1  0
314315  1  0
315316  1  0
316317  1  0
317318  1  0
318319  1  0
319320  1  0
320321  1  0
321322  1  0
322323  1  0
323324  1  0
324325  1  0
325326  1  0
326327  1  0
 11328  1  6
328329  1  0
329330  1  0
329331  1  0
M  END

Associated Targets(Human)

GIPR Tchem Gastric inhibitory polypeptide receptor (542 Activities)

Discover Target: GIPR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GCGR Tclin Glucagon receptor (2563 Activities)

Discover Target: GCGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Unknown	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 4677.34	Molecular Weight (Monoisotopic): 4674.4697	AlogP: ┄	#Rotatable Bonds: ┄
Polar Surface Area: ┄	Molecular Species: ┄	HBA: ┄	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): ┄	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: ┄	CX LogD: ┄
Aromatic Rings: ┄	Heavy Atoms: ┄	QED Weighted: ┄	Np Likeness Score: ┄

References

1. Evers A, Bossart M, Pfeiffer-Marek S, Elvert R, Schreuder H, Kurz M, Stengelin S, Lorenz M, Herling A, Konkar A, Lukasczyk U, Pfenninger A, Lorenz K, Haack T, Kadereit D, Wagner M.. (2018) Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations., 61 (13): [PMID:29879354] [10.1021/acs.jmedchem.8b00292]

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source