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Ligand

NameCHEMBL1940526
Molecular formulaC31H37ClN4O2S
IUPAC name[4-(5-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight565.173
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50362430
Inchi KeyFQBHXDNBIARQPD-FPNNDXFKSA-N
Inchi IDInChI=1S/C31H37ClN4O2S/c1-38-26-7-3-23(4-8-26)31(12-2-13-31)34-25-6-9-27(28(19-25)22-11-18-39-21-22)30(37)36-16-14-35(15-17-36)29-10-5-24(32)20-33-29/h3-5,7-8,10-11,18,20-21,25,27-28,34H,2,6,9,12-17,19H2,1H3/t25-,27+,28-/m1/s1
PubChem CID57400018
ChEMBLCHEMBL1940526
IUPHARN/A
BindingDB50362430
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
84556Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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