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Ligand

NameCHEMBL344180
Molecular formulaC35H41NO3S
IUPAC name2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight555.777
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.0
SynonymsBDBM50069356
[1-((R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-{3-[(E)-2-(5,6,7,8-tetrahydro-quinolin-2-yl)-vinyl]-phenyl}-propylsulfanylmethyl)-cyclopropyl]-acetic acid
(R)-2-(1-((3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(3-(2-(5,6,7,8-tetrahydroquinolin-2-yl)vinyl)phenyl)propylthio)methyl)cyclopropyl)acetic acid
Inchi KeyAPMBFPQCZFCKCO-CGNAPUSOSA-N
Inchi IDInChI=1S/C35H41NO3S/c1-34(2,39)30-12-5-3-9-26(30)16-19-32(40-24-35(20-21-35)23-33(37)38)28-11-7-8-25(22-28)14-17-29-18-15-27-10-4-6-13-31(27)36-29/h3,5,7-9,11-12,14-15,17-18,22,32,39H,4,6,10,13,16,19-21,23-24H2,1-2H3,(H,37,38)/b17-14+/t32-/m1/s1
PubChem CID9829145
ChEMBLCHEMBL344180
IUPHARN/A
BindingDB50069356
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
11119Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337

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