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Ligand

NameCHEMBL275357
Molecular formulaC32H33ClNO4S-
IUPAC name(2R)-3-[(1R)-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-2-methylpropanoate
Molecular weight563.129
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.5
SynonymsSodium; (R)-3-{(R)-1-[3-(7-chloro-quinolin-2-ylmethoxy)-phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanyl}-2-methyl-propionate
BDBM50280701
Inchi KeyDHBXJMYACXFGDK-URAOTHONSA-M
Inchi IDInChI=1S/C32H34ClNO4S/c1-21(31(35)36)20-39-30(16-13-22-7-4-5-10-28(22)32(2,3)37)24-8-6-9-27(17-24)38-19-26-15-12-23-11-14-25(33)18-29(23)34-26/h4-12,14-15,17-18,21,30,37H,13,16,19-20H2,1-3H3,(H,35,36)/p-1/t21-,30+/m0/s1
PubChem CID91934678
ChEMBLN/A
IUPHARN/A
BindingDB50280701
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
59831Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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