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Ligand

NameCHEMBL1940534
Molecular formulaC29H34ClFN4OS
IUPAC name[4-(5-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[2-(4-fluorophenyl)propan-2-ylamino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight541.126
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50362422
Inchi KeyPISSSQWQPKYCQO-UODIDJSMSA-N
Inchi IDInChI=1S/C29H34ClFN4OS/c1-29(2,21-3-6-23(31)7-4-21)33-24-8-9-25(26(17-24)20-11-16-37-19-20)28(36)35-14-12-34(13-15-35)27-10-5-22(30)18-32-27/h3-7,10-11,16,18-19,24-26,33H,8-9,12-15,17H2,1-2H3/t24-,25+,26-/m1/s1
PubChem CID57401832
ChEMBLCHEMBL1940534
IUPHARN/A
BindingDB50362422
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
260754Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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