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Ligand

NameCHEMBL3969018
Molecular formulaC29H25F3N4O4
IUPAC name1-[4-[4-[1-methyl-5-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]triazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
Molecular weight550.538
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.5
SynonymsSCHEMBL16699795
HKSCEHNRNXWQAZ-UHFFFAOYSA-N
BDBM223530
US9321738, 4
1-(4'-{1-methyl-5-[1-(3-trifluoromethyl-phenyl)-ethoxycarbonylamino]-1H-[1,2,3]triazol-4-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid
Inchi KeyHKSCEHNRNXWQAZ-UHFFFAOYSA-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)
PubChem CID72704617
ChEMBLCHEMBL3969018
IUPHARN/A
BindingDB223530
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
538874Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
538875Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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