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Ligand

NameCHEMBL143874
Molecular formulaC33H34ClNO3S
IUPAC name(2S)-3-[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-2-methylpropanoic acid
Molecular weight560.149
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.7
SynonymsBDBM50283943
(S)-3-{(S)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanyl}-2-methyl-propionic acid
Inchi KeyBRMJNEYUMHYBOP-OKGRURTHSA-N
Inchi IDInChI=1S/C33H34ClNO3S/c1-22(32(36)37)21-39-31(18-14-24-8-4-5-10-29(24)33(2,3)38)26-9-6-7-23(19-26)11-16-28-17-13-25-12-15-27(34)20-30(25)35-28/h4-13,15-17,19-20,22,31,38H,14,18,21H2,1-3H3,(H,36,37)/b16-11+/t22-,31+/m1/s1
PubChem CID15859367
ChEMBLCHEMBL143874
IUPHARN/A
BindingDB50283943
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
31118Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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