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Ligand

NameCHEMBL1940372
Molecular formulaC30H37ClN4O2S
IUPAC name[4-(5-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[2-(4-methoxyphenyl)propan-2-ylamino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight553.162
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50362432
Inchi KeyDQUOYXILBAZZRB-FXVJXKIMSA-N
Inchi IDInChI=1S/C30H37ClN4O2S/c1-30(2,22-4-8-25(37-3)9-5-22)33-24-7-10-26(27(18-24)21-12-17-38-20-21)29(36)35-15-13-34(14-16-35)28-11-6-23(31)19-32-28/h4-6,8-9,11-12,17,19-20,24,26-27,33H,7,10,13-16,18H2,1-3H3/t24-,26+,27-/m1/s1
PubChem CID57400010
ChEMBLCHEMBL1940372
IUPHARN/A
BindingDB50362432
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
66642Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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