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Ligand

NameCHEMBL2182046
Molecular formulaC29H25F3N4O4
IUPAC name1-[4-[4-[1-methyl-5-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]triazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
Molecular weight550.538
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50398093
SCHEMBL16700368
Inchi KeyHKSCEHNRNXWQAZ-QGZVFWFLSA-N
Inchi IDInChI=1S/C29H25F3N4O4/c1-17(21-4-3-5-23(16-21)29(30,31)32)40-27(39)33-25-24(34-35-36(25)2)20-8-6-18(7-9-20)19-10-12-22(13-11-19)28(14-15-28)26(37)38/h3-13,16-17H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t17-/m1/s1
PubChem CID71457480
ChEMBLCHEMBL2182046
IUPHARN/A
BindingDB50398093
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
117462Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
117463Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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