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Ligand

NameCHEMBL1940530
Molecular formulaC30H34BrClN4OS
IUPAC name[(1S,2S,4R)-4-[[1-(4-bromophenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-(5-chloropyridin-2-yl)piperazin-1-yl]methanone
Molecular weight614.043
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50362426
Inchi KeyACVQDOWULDOCRR-KWXIBIRDSA-N
Inchi IDInChI=1S/C30H34BrClN4OS/c31-23-4-2-22(3-5-23)30(11-1-12-30)34-25-7-8-26(27(18-25)21-10-17-38-20-21)29(37)36-15-13-35(14-16-36)28-9-6-24(32)19-33-28/h2-6,9-10,17,19-20,25-27,34H,1,7-8,11-16,18H2/t25-,26+,27-/m1/s1
PubChem CID57398361
ChEMBLCHEMBL1940530
IUPHARN/A
BindingDB50362426
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1977Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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