Call +1 (833) 552-7181 or Contact us Earn $25 in coupons on your first order with Aladdin!
Toggle Nav
My Cart
Search
Advanced Search
Menu
Sign In
྾

Phe-His-Leu-Leu-Arg-Glu-Val-Leu-Glu-Met-Ala-Arg-Ala-Glu-Gln-Leu-Ala-Gln-Gln-Ala-His-Ser-Asn-Arg-Lys-Leu-Met-Glu-Ile-Ile ([DPhe12, NLe21,38,Aib39] h/r CRF12-41)

main product photo

ID: ALA2370292

PubChem CID: 73346982

Max Phase: Preclinical

Molecular Formula: C170H288N52O46

Molecular Weight: 3796.49

Molecule Type: Unknown

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES:  CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)NC[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC

Standard InChI:  InChI=1S/C170H288N52O46/c1-27-31-43-101(142(243)189-75-91(21)136(237)221-133(90(20)30-4)166(267)220-132(135(177)236)89(19)29-3)199-155(256)114(66-83(7)8)211-148(249)103(45-36-37-61-171)201-146(247)105(47-39-63-187-169(180)181)203-162(263)122(74-127(176)229)215-164(265)123(79-224)218-161(262)120(72-98-76-184-80-190-98)208-140(241)95(25)194-145(246)107(49-55-124(173)226)204-149(250)108(50-56-125(174)227)197-139(240)94(24)195-154(255)113(65-82(5)6)210-152(253)109(51-57-126(175)228)205-150(251)110(52-58-128(230)231)198-138(239)93(23)193-144(245)104(46-38-62-186-168(178)179)196-137(238)92(22)192-143(244)102(44-32-28-2)200-151(252)111(53-59-129(232)233)207-157(258)117(69-86(13)14)216-165(266)131(88(17)18)219-153(254)112(54-60-130(234)235)206-147(248)106(48-40-64-188-170(182)183)202-156(257)115(67-84(9)10)212-158(259)116(68-85(11)12)213-160(261)121(73-99-77-185-81-191-99)214-159(260)119(71-97-41-34-33-35-42-97)217-167(268)134(96(26)225)222-163(264)118(70-87(15)16)209-141(242)100(172)78-223/h33-35,41-42,76-77,80-96,100-123,131-134,223-225H,27-32,36-40,43-75,78-79,171-172H2,1-26H3,(H2,173,226)(H2,174,227)(H2,175,228)(H2,176,229)(H2,177,236)(H,184,190)(H,185,191)(H,189,243)(H,192,244)(H,193,245)(H,194,246)(H,195,255)(H,196,238)(H,197,240)(H,198,239)(H,199,256)(H,200,252)(H,201,247)(H,202,257)(H,203,263)(H,204,250)(H,205,251)(H,206,248)(H,207,258)(H,208,241)(H,209,242)(H,210,253)(H,211,249)(H,212,259)(H,213,261)(H,214,260)(H,215,265)(H,216,266)(H,217,268)(H,218,262)(H,219,254)(H,220,267)(H,221,237)(H,222,264)(H,230,231)(H,232,233)(H,234,235)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t89-,90-,91+,92-,93-,94-,95-,96+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122-,123-,131-,132-,133-,134-/m0/s1

Standard InChI Key:  RNSZCTAVAPEKFP-SMQVQNFWSA-N

Molfile:  

     RDKit          2D

268270  0  0  1  0  0  0  0  0999 V2000
   -1.0038   -1.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2895   -0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2209  -36.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0038   -1.8937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5534  -10.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034  -36.9481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497  -36.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8421   -9.7490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3641  -36.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182   -2.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9467  -36.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278   -9.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4357   -4.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0930  -37.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8036  -36.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8507   -1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1394    0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2763   -3.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3679  -36.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8189  -27.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2647  -13.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9876   -5.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1076  -25.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9560  -31.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6789  -24.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6936  -14.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3847  -33.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0960  -35.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5111  -36.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2447  -29.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9676  -22.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8305  -18.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5418  -20.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6573  -36.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4165   -7.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4049  -16.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3786  -36.6002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2895    0.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6612  -37.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5534  -11.8120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2323  -37.0035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362   -0.6590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4357   -3.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9322  -36.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8105  -35.7780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650   -2.3126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2763   -4.3756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1046  -26.6880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8391  -10.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7998  -36.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5180  -36.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9791  -13.4656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2447  -30.4047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3933  -24.6219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6704  -32.0613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9676  -22.9683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4134   -8.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5334  -28.3416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7020   -6.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0892  -36.5848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2562  -20.9051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1162  -17.1854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3817  -34.1244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8305  -19.2516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9429  -36.9882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6905  -15.5319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6535  -36.9728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8074  -36.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8507   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890  -36.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5241  -35.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249    0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7213   -3.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2678  -12.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9907   -4.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0823  -36.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8189  -27.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5620   -3.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9777    1.4257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9282  -39.1036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2216  -36.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6881  -16.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1239   -7.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7974  -40.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7921  -35.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0785  -36.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1501   -4.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5218  -37.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650    0.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278   -8.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9791  -14.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6820  -23.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3933  -25.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9591  -30.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6704  -32.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650   -0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5218  -37.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2385  -35.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8969    0.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8505  -38.3153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5103  -36.5540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2531  -21.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5302  -29.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0960  -34.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1162  -18.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4049  -15.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2285  -36.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3717  -36.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7020   -6.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5418  -19.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1524    1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1030  -39.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9391  -36.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2470  -25.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3878  -29.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5241  -33.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3671  -40.6279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6881  -16.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5543   -6.9222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5565   -6.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8329  -14.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1107  -21.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2332    0.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1869  -38.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2802   -0.9853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2209  -35.8796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1262  -10.6604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7929  -36.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3610  -37.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9498  -35.9351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2910   -1.9769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8629   -4.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5550   -9.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6166    0.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0899  -37.6749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6920  -13.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8491   -3.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8005  -37.6594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3709  -35.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4180   -5.9460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2779   -2.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2462  -28.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2632  -14.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8174  -29.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3832  -31.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6804  -25.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6604  -35.9197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9861   -6.9407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4033  -18.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5403  -21.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5111  -37.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5233  -35.6918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8321  -17.0992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9544  -32.9697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9691  -20.8189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1092  -24.5387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2216  -37.6287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194  -35.3777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8476   -3.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0823  -37.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9822  -11.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5334  -26.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -3.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7051   -4.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7213   -0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2447  -34.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9545  -32.9574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3878  -28.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6774  -25.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1107  -21.0714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2601  -14.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5565   -6.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6758  -25.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3963  -22.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2617  -14.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8421   -8.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6734  -30.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9529  -33.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -6.8452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9737  -17.1884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7974  -39.4731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2247  -40.6279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2577  -17.1053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1239   -7.9137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3649  -35.3808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7197   -4.4526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1247  -10.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292  -37.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8082  -35.6887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6734  -29.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9645  -25.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2385  -32.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747  -36.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3963  -22.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5473  -14.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8421   -7.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9606  -29.4994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5210  -33.9489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2439  -26.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6835  -22.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1293   -7.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8298  -15.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2895    1.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6612  -37.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6758  -33.4440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2910   -0.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1501   -5.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2308  -38.1645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7197   -5.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0816  -35.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -4.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7967  -38.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5334  -25.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7051   -3.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9822  -10.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1331   -3.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3717  -37.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2562  -19.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1192  -15.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9846   -7.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2347  -35.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9453  -35.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6835  -22.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6688  -34.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5434  -18.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9606  -29.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5558   -7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9737  -18.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0830  -39.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6727  -34.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603  -36.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2117  -38.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7213    0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1216  -11.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5519  -10.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4988  -38.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716  -37.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2895    2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0008    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0861  -38.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2594  -18.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2702   -6.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1192  -14.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6596  -35.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9491  -35.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9552  -34.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8336  -14.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6658  -34.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5604   -3.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362   -2.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2748   -3.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1324   -3.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3663  -37.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1061  -25.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9637  -25.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7936  -38.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5519  -10.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4095  -10.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4373   -4.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5797   -4.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125  -36.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086  -38.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8336  -13.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2386  -34.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7151    1.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0008    3.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7151    2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3 44  1  0
  1  4  1  1
  5 49  1  0
  6  3  1  0
  7  9  1  0
  8 12  1  0
  9 86  1  0
 10  4  1  0
 11 39  1  0
 12 90  1  0
 13 43  1  0
 14 68  1  0
 15 51  1  0
 16 69  1  0
 17 72  1  0
 18 78  1  0
 19 76  1  0
 20 77  1  0
 21 74  1  0
 22 75  1  0
 23 93  1  0
 24 94  1  0
 25 92  1  0
 26 91  1  0
 27 95  1  0
 28104  1  0
 29107  1  0
 30103  1  0
 31102  1  0
 32105  1  0
 33110  1  0
 34108  1  0
 35109  1  0
 36106  1  0
 37 14  1  0
 38  2  1  0
 39 37  1  0
 40  5  1  0
 41 11  1  0
 42 17  1  0
 43 73  1  0
 44  7  1  1
 45 28  1  0
 46 16  1  0
 47 18  1  0
 48 23  1  0
 49  8  1  6
 50 29  1  0
 51 41  1  0
 52 21  1  0
 53 30  1  0
 54 25  1  0
 55 24  1  0
 56 31  1  0
 57 35  1  0
 58 20  1  0
 59 22  1  0
 60 15  1  0
 61 33  1  0
 62 36  1  0
 63 27  1  0
 64 32  1  0
 65 34  1  0
 66 26  1  0
 67 19  1  0
 68 45  1  0
 69 42  1  0
 70  6  1  1
 51 71  1  6
 72 38  1  0
 73 10  1  0
 74 40  1  0
 75 47  1  0
 76 50  1  0
 77 48  1  0
 78 46  1  0
 79123  1  0
 80124  1  0
 81113  1  0
 82181  2  0
 83180  2  0
 84182  2  0
 85 70  1  0
 86128  1  0
 87 13  1  0
 88 97  1  0
 89 96  1  0
 90 57  1  0
 91 52  1  0
 92 56  1  0
 93 54  1  0
 94 53  1  0
 95 55  1  0
 69 96  1  1
 68 97  1  1
 98 71  1  0
 99 89  1  0
100 88  1  0
101 81  1  0
102 61  1  0
103 58  1  0
104 63  1  0
105 62  1  0
106 66  1  0
107 65  1  0
108 60  1  0
109 59  1  0
110 64  1  0
111 99  2  0
112100  2  0
113 67  1  0
114192  1  0
115191  1  0
116193  1  0
117 84  1  0
118 82  1  0
119 83  1  0
120197  1  0
121196  1  0
122195  1  0
123 89  2  0
124 88  2  0
125  2  2  0
126  3  2  0
127  5  2  0
128101  1  0
129  9  2  0
130 11  2  0
131 10  2  0
132 13  2  0
133 12  2  0
134 17  2  0
135 14  2  0
136 21  2  0
137 18  2  0
138 15  2  0
139 19  2  0
140 22  2  0
141 16  2  0
142 20  2  0
143 26  2  0
144 30  2  0
145 24  2  0
146 23  2  0
147 34  2  0
148 35  2  0
149 32  2  0
150 31  2  0
151 29  2  0
152 28  2  0
153 36  2  0
154 27  2  0
155 33  2  0
156 25  2  0
 72157  1  6
158 81  2  0
159 85  2  0
 78160  1  6
 76161  1  1
 74162  1  1
 77163  1  1
 73164  1  6
 75165  1  1
166  1  1  0
167 98  2  0
168116  2  0
169115  2  0
170114  2  0
171122  2  0
172121  2  0
173120  2  0
 93174  1  6
 92175  1  1
 91176  1  6
 90177  1  1
 94178  1  1
 95179  1  6
180228  1  0
181229  1  0
182230  1  0
183 84  1  0
184 82  1  0
185 83  1  0
186 85  1  0
 87187  1  6
188 49  1  0
189 44  1  0
190 98  1  0
191178  1  0
192174  1  0
193179  1  0
194 70  1  0
195175  1  0
196176  1  0
197177  1  0
198115  1  0
199116  1  0
200114  1  0
201122  1  0
202120  1  0
203121  1  0
204157  1  0
 39205  1  1
206231  1  0
207166  1  0
208 87  1  0
209205  1  0
210208  1  0
 86211  1  6
212164  1  0
213161  1  0
214163  1  0
215165  1  0
216162  1  0
217160  1  0
108218  1  1
110219  1  1
106220  1  1
109221  1  6
107222  1  6
113223  1  6
102224  1  6
104225  1  1
105226  1  6
103227  1  6
228243  1  0
229242  1  0
230241  1  0
231247  1  0
232194  1  0
233189  1  0
166234  1  6
235188  1  0
236188  1  0
189237  1  1
194238  1  1
239204  2  0
240204  1  0
241218  1  0
242219  1  0
243221  1  0
244220  1  0
245223  1  0
246222  1  0
247246  1  0
248244  1  0
249245  1  0
250217  1  0
251217  1  0
252215  1  0
253215  1  0
254213  1  0
255214  1  0
256214  1  0
257213  1  0
258216  1  0
259216  1  0
260212  1  0
261212  1  0
262232  1  0
263233  1  0
264248  1  0
265249  1  0
266240  2  0
267239  1  0
268266  1  0
268267  2  0
111 79  1  0
112 80  1  0
M  END

Associated Targets(non-human)

Crhr2 Corticotropin releasing factor receptor (165 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 3796.49Molecular Weight (Monoisotopic): 3794.1795AlogP: ┄#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. Hernandez JF, Kornreich W, Rivier C, Miranda A, Yamamoto G, Andrews J, Taché Y, Vale W, Rivier J..  (1993)  Synthesis and relative potencies of new constrained CRF antagonists.,  36  (20): [PMID:8411001] [10.1021/jm00072a004]

Source

Source(1):

🔙[Back to Compounds]
Privacy Policy Website Terms of Use Return policy Terms and Conditions of Sale Cookie Policy Sales Policy
Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
Copyright © 2023-present Aladdin Scientific Corp . All rights reserved.