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
྾

NA

main product photo

ID: ALA4447233

PubChem CID: 155519035

Max Phase: Preclinical

Molecular Formula: C175H269N51O54S6

Molecular Weight: 4143.78

Molecule Type: Unknown

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)N[C@@H](CCCNC(=N)N)C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)NC1=O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N3)N[C@@H](CCC(N)=O)C(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)C(C)C

Standard InChI:  InChI=1S/C175H269N51O54S6/c1-14-86(8)139(223-157(262)108(60-83(2)3)201-134(242)73-192-147(252)109(61-92-32-17-15-18-33-92)208-161(266)116(74-227)202-130(238)68-180)172(277)213-114(67-136(245)246)159(264)222-137(84(4)5)170(275)207-102(40-25-29-57-178)150(255)219-123-82-286-285-80-122-166(271)206-106(49-53-127(183)235)151(256)211-112(65-128(184)236)156(261)212-113(66-129(185)237)160(265)226-154(259)105(48-52-126(182)234)198-119-77-281-283-81-124(220-152(257)107(50-54-135(243)244)205-162(267)118(76-229)216-163(268)117(75-228)215-144(249)88(10)195-155(260)110(209-167(123)272)62-93-34-19-16-20-35-93)168(273)210-111(64-95-69-189-98-37-22-21-36-97(95)98)158(263)224-141(91(13)231)173(278)196-89(11)145(250)217-121(79-284-282-78-120(197-99(142(119)247)42-31-59-188-175(186)187)164(269)214-115(174(279)280)63-94-43-45-96(232)46-44-94)165(270)204-101(39-24-28-56-177)149(254)203-103(41-26-30-58-179)153(258)221-138(85(6)7)171(276)225-140(90(12)230)169(274)193-70-131(239)194-87(9)143(248)190-71-132(240)200-104(47-51-125(181)233)146(251)191-72-133(241)199-100(148(253)218-122)38-23-27-55-176/h15-22,32-37,43-46,69,83-91,99-124,137-141,189,197-198,227-232H,14,23-31,38-42,47-68,70-82,176-180H2,1-13H3,(H2,181,233)(H2,182,234)(H2,183,235)(H2,184,236)(H2,185,237)(H,190,248)(H,191,251)(H,192,252)(H,193,274)(H,194,239)(H,195,260)(H,196,278)(H,199,241)(H,200,240)(H,201,242)(H,202,238)(H,203,254)(H,204,270)(H,205,267)(H,206,271)(H,207,275)(H,208,266)(H,209,272)(H,210,273)(H,211,256)(H,212,261)(H,213,277)(H,214,269)(H,215,249)(H,216,268)(H,217,250)(H,218,253)(H,219,255)(H,220,257)(H,221,258)(H,222,264)(H,223,262)(H,224,263)(H,225,276)(H,243,244)(H,245,246)(H,279,280)(H4,186,187,188)(H,226,259,265)/t86-,87-,88-,89-,90+,91+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,137-,138-,139-,140-,141-/m0/s1

Standard InChI Key:  PTSBXMMMLFDZPC-FHEFPOOPSA-N

Molfile:  

 
     RDKit          2D

286293  0  0  0  0  0  0  0  0999 V2000
   51.5408  -13.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.3517  -12.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7896   -1.0382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0885   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3758   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6511   -0.6334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3758   -1.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9500   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2255   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5068   -1.0440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2255    0.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9500   -1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2255   -2.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7939   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0870   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3684   -0.6334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0870   -1.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7939    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0870    0.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3684    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6548    0.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6555    1.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3729    1.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0848    1.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6555   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299   -1.0440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310    0.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5054   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9215   -0.6334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147   -1.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5054    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147    0.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147    1.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9215    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465   -2.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9215   -2.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708    0.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465   -3.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708   -3.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708   -4.3464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832   -3.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -3.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -4.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9215   -4.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465   -4.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832   -4.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4898   -4.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2082   -4.7510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4898   -3.5193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832   -5.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708   -6.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4898   -6.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9148   -4.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6332   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3517   -4.3464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6332   -5.5782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9148   -3.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6332   -3.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6332   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3517   -1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3517   -1.0440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0641   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0641   -5.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7767   -6.0004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3517   -6.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7767   -4.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7767   -6.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4833   -7.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4833   -8.0593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017   -6.8217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0641   -7.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0641   -8.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3548   -8.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -9.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0617   -9.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775   -9.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7730   -8.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017   -8.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017   -9.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9141   -9.7016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4833   -9.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9141   -8.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6326   -9.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3568   -9.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3568  -10.5287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6326   -8.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3568   -8.0593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0752   -9.2910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7818   -9.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7818  -10.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4943  -10.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4943   -9.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4943   -8.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0752  -10.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2068  -10.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9135  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6377  -10.5287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9135  -11.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2068   -9.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9135   -9.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9135   -8.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2068   -8.0593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6377   -8.0593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3501  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0627  -10.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7811  -10.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0627   -9.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3501  -11.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4088  -12.8163    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.4877  -10.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2062  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9128  -10.5287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2062  -11.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4877   -9.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2062   -9.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9536   -9.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5078   -9.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2957   -8.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0982   -8.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3498   -7.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7942   -6.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9944   -7.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7423   -7.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6312  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3494  -10.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0561  -10.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3494   -9.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6312  -11.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9128  -12.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3494  -12.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7745  -10.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4929  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2113  -10.5286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4929  -11.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7745   -9.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9237  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6363  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3488  -10.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6363   -9.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9237  -11.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1465  -12.5464    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.0554  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7796  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4864  -10.5286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7796  -11.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0554   -9.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7796   -9.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7796   -8.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4862   -8.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4862   -7.2263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2164  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9230  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6355  -10.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.9230   -9.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2164  -11.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9230  -12.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9230  -12.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6356  -13.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6356  -14.2474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3539  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0605  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7789  -10.5286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.0605  -11.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3539   -9.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0605   -9.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6355   -9.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4973  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2098  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9223  -10.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.2098   -9.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.4973  -11.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7789  -12.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2098  -12.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.6290  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3474  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0598  -10.5286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.3474  -11.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.7782  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.4966  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.2091  -10.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.4966   -9.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.7782  -11.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.9157  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6341  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3467  -10.5286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.6341  -11.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0591  -10.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7775  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4900  -10.9450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.7775   -9.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0591  -11.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7775  -12.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7775  -12.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.0591  -13.4203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.4900  -13.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.2084  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.9268  -10.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.6334  -10.5286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   45.9268  -11.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.3518  -10.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.0584  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.7768  -10.9450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   48.0584   -9.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.3518  -11.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.0584  -12.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.0584  -12.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.7768  -13.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.7768  -14.2474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   49.4951  -10.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.2077  -10.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.9201  -10.5286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   50.2077  -11.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   49.4951   -9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.5298   -8.7406    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7906   -3.3325    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   51.6373  -10.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.6360  -11.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.3471  -12.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   50.9190  -12.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   52.3497  -10.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.0610  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.7676  -10.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.4846  -10.9154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   53.7689   -9.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.0688  -13.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.0734  -14.2234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   53.7754  -12.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.4588  -14.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.6360  -14.6647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   52.2055  -14.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.7904  -14.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.7951  -15.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.5062  -15.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.0825  -15.8676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   54.4971  -14.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.2141  -14.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.0812  -16.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.2194  -15.4445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   55.9200  -14.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.8026  -17.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.8073  -17.9203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   52.3760  -17.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   54.5078  -16.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.2235  -17.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.9345  -16.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.6442  -17.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   55.9241  -15.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.0903  -18.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.0948  -19.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.3805  -17.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.6695  -18.3387    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   53.8105  -19.5585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   52.3896  -19.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.3942  -20.3915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   51.6741  -19.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.9689  -19.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.2533  -19.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.5423  -19.5881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   48.8266  -19.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.1214  -19.5960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   48.8220  -18.3605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   51.6890  -20.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.6937  -21.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.9767  -22.0435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   52.4034  -22.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.9734  -20.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.2566  -20.8158    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   50.9812  -22.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.2761  -23.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.2806  -24.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.7028  -23.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.7015  -24.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.5605  -22.8706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.9876  -24.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.9919  -25.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.7080  -25.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.4272  -25.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.4137  -24.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.7136  -26.5630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  8 12  1  6
 12 13  1  0
 10 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 14 18  1  1
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 16 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 29 33  1  1
 33 34  1  0
 34 35  1  0
 34 36  1  0
 31 37  1  0
 37 38  1  1
 38 39  1  0
 38 40  2  0
 37 41  1  0
 41 42  1  0
 42 43  1  0
 41 44  1  6
 39 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  2  0
 45 49  1  6
 49 50  1  0
 50 51  2  0
 50 52  1  0
 47 53  1  0
 53 54  1  0
 54 55  1  0
 54 56  2  0
 53 57  1  6
 57 58  1  0
 57 59  1  0
 55 60  1  0
 60 61  1  0
 61 62  1  0
 61 63  2  0
 60 64  1  1
 64 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  1  0
 62 69  1  0
 69 70  1  0
 70 71  1  0
 70 72  2  0
 69 73  1  1
 71 74  1  0
 74 75  1  0
 75 76  1  0
 75 77  2  0
 74 78  1  6
 78 79  1  0
 79 80  2  0
 80 81  1  0
 81 82  2  0
 82 83  1  0
 83 84  2  0
 84 79  1  0
 76 85  1  0
 85 86  1  0
 86 87  1  0
 86 88  2  0
 85 89  1  1
 87 90  1  0
 90 91  1  0
 91 92  2  0
 90 93  1  1
 93 94  1  0
 91 95  1  0
 95 96  1  0
 96 97  1  0
 97 98  1  0
 96 99  1  1
 99100  1  0
 97101  2  0
 98102  1  0
102103  1  0
103104  1  0
103105  2  0
102106  1  1
106107  1  0
107108  1  0
108109  1  0
108110  2  0
104111  1  0
111112  1  0
112113  1  0
112114  2  0
111115  1  6
115116  1  0
113117  1  0
117118  1  0
118119  1  0
118120  2  0
117121  1  1
121122  1  0
122123  2  0
123124  1  0
124126  1  0
125122  1  0
125126  2  0
126127  1  0
127128  2  0
128129  1  0
129130  2  0
130125  1  0
131119  1  6
131132  1  0
132133  1  0
132134  2  0
131135  1  0
135136  1  1
135137  1  0
138133  1  1
138139  1  0
139140  1  0
139141  2  0
138142  1  0
140143  1  0
143144  1  0
144145  1  0
144146  2  0
143147  1  6
147148  1  0
145149  1  0
149150  1  0
150151  1  0
150152  2  0
149153  1  1
153154  1  0
154155  1  0
155156  1  0
156157  1  0
151158  1  0
158159  1  0
159160  1  0
159161  2  0
158162  1  6
162163  1  0
163164  1  0
164165  1  0
165166  1  0
160167  1  0
167168  1  0
168169  1  0
168170  2  0
167171  1  1
171172  1  0
171173  1  0
174169  1  6
174175  1  0
175176  1  0
175177  2  0
174178  1  0
178179  1  0
178180  1  6
176181  1  0
181182  1  0
182183  1  0
182184  2  0
183185  1  0
185186  1  0
186187  1  0
186188  2  0
185189  1  6
187190  1  0
190191  1  0
191192  1  0
191193  2  0
192194  1  0
194195  1  0
195196  1  0
195197  2  0
194198  1  6
198199  1  0
199200  1  0
200201  1  0
200202  2  0
196203  1  0
203204  1  0
204205  1  0
204206  2  0
205207  1  0
207208  1  0
208209  1  0
208210  2  0
207211  1  6
211212  1  0
212213  1  0
213214  1  0
214215  1  0
209216  1  0
216217  1  0
217218  1  0
217219  2  0
216220  1  1
220221  1  0
 73222  1  0
222221  1  0
218223  1  0
223224  1  0
224225  1  0
224226  2  0
223227  1  1
227228  1  0
228229  1  0
229230  1  0
229231  2  0
225  2  1  0
  2232  1  0
232233  1  0
232234  2  0
  1235  1  0
235236  1  0
235237  2  0
233238  1  0
238239  1  0
239240  2  0
239241  1  0
238242  1  1
242243  1  0
241244  1  0
243245  1  0
243246  2  0
244247  1  0
247248  1  6
244249  2  0
247250  1  0
250251  1  0
251252  1  0
252253  1  0
252254  2  0
248255  1  0
255256  1  0
255257  1  6
257258  1  0
116258  1  0
256259  2  0
256260  1  0
260261  1  0
260262  1  1
262263  1  0
263264  1  0
264265  1  0
265266  1  0
266267  1  0
266268  2  0
261269  1  0
269270  1  0
270271  1  0
270272  2  0
269273  1  6
273274  1  0
275271  1  1
275276  1  0
276277  1  0
275278  1  0
278279  1  0
276280  2  0
279281  2  0
281282  1  0
282283  2  0
283284  1  0
284285  2  0
285279  1  0
283286  1  0
148274  1  0
M  END

Alternative Forms

  1. Parent:

    ALA4447233

    ---

Associated Targets(Human)

KCNMA1 Tclin KCNMA1/KCNMB4 (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNMB4 Tbio Calcium-activated potassium channel subunit beta-4 (11 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: 4143.78Molecular Weight (Monoisotopic): 4140.8195AlogP: ┄#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. Liu X, Tao J, Zhang S, Lan W, Wang C, Ji Y, Cao C..  (2020)  Selective Blockade of Neuronal BK (α + β4) Channels Preventing Epileptic Seizure.,  63  (1): [PMID:31838846] [10.1021/acs.jmedchem.9b01241]

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.