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Ligand

NameCHEMBL1940531
Molecular formulaC31H37ClN4O2S
IUPAC name[4-(5-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[1-(3-methoxyphenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight565.173
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50362425
Inchi KeyRPKRJYUGJQDOGS-FPNNDXFKSA-N
Inchi IDInChI=1S/C31H37ClN4O2S/c1-38-26-5-2-4-23(18-26)31(11-3-12-31)34-25-7-8-27(28(19-25)22-10-17-39-21-22)30(37)36-15-13-35(14-16-36)29-9-6-24(32)20-33-29/h2,4-6,9-10,17-18,20-21,25,27-28,34H,3,7-8,11-16,19H2,1H3/t25-,27+,28-/m1/s1
PubChem CID57400019
ChEMBLCHEMBL1940531
IUPHARN/A
BindingDB50362425
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
301955Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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