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Ligand

NameCHEMBL1940529
Molecular formulaC30H34BrClN4OS
IUPAC name[(1S,2S,4R)-4-[[1-(3-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
SynonymsBDBM50362427
Inchi KeyJSMNLSLVGSIRJL-KWXIBIRDSA-N
Inchi IDInChI=1S/C30H34BrClN4OS/c31-23-4-1-3-22(17-23)30(10-2-11-30)34-25-6-7-26(27(18-25)21-9-16-38-20-21)29(37)36-14-12-35(13-15-36)28-8-5-24(32)19-33-28/h1,3-5,8-9,16-17,19-20,25-27,34H,2,6-7,10-15,18H2/t25-,26+,27-/m1/s1
PubChem CID57391313
ChEMBLCHEMBL1940529
IUPHARN/A
BindingDB50362427
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
158899Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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