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Ligand

NameCHEMBL2182032
Molecular formulaC29H25F3N4O4
IUPAC name1-[4-[4-[4-methyl-5-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
Molecular weight550.538
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.9
SynonymsSCHEMBL16697516
GHKDKQCJENZFNI-GOSISDBHSA-N
BDBM50398097
1-(4'-{4-methyl-5-[(R)-1-(3-trifluoromethyl-phenyl)ethoxycarbonylamino]-[1,2,3]triazol-1-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid
Inchi KeyGHKDKQCJENZFNI-GOSISDBHSA-N
Inchi IDInChI=1S/C29H25F3N4O4/c1-17-25(33-27(39)40-18(2)21-4-3-5-23(16-21)29(30,31)32)36(35-34-17)24-12-8-20(9-13-24)19-6-10-22(11-7-19)28(14-15-28)26(37)38/h3-13,16,18H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t18-/m1/s1
PubChem CID71455702
ChEMBLCHEMBL2182032
IUPHARN/A
BindingDB50398097
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
96550Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
96551Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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