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Ligand

NameCHEMBL1940359
Molecular formulaC29H35ClN4O2S
IUPAC name[4-(6-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight539.135
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50362445
Inchi KeyYJVVRQDSRBRSEW-AAVWJAMMSA-N
Inchi IDInChI=1S/C29H35ClN4O2S/c1-20(21-6-9-24(36-2)10-7-21)31-23-8-11-25(26(18-23)22-12-17-37-19-22)29(35)34-15-13-33(14-16-34)28-5-3-4-27(30)32-28/h3-7,9-10,12,17,19-20,23,25-26,31H,8,11,13-16,18H2,1-2H3/t20-,23-,25+,26-/m1/s1
PubChem CID57403428
ChEMBLCHEMBL1940359
IUPHARN/A
BindingDB50362445
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
411910Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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