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Name | CHEMBL2182030 |
---|---|
Molecular formula | C28H25FN4O4 |
IUPAC name | 1-[4-[4-[5-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid |
Molecular weight | 500.53 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 5.1 |
Synonyms | SCHEMBL16697769 BDBM50398122 DHWSJRFMKGNOLK-GOSISDBHSA-N 1-(4'-{5-[(R)-1-(2-fluoro-phenyl)ethoxycarbonylamino]-4-methyl-[1,2,3]triazol-1-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid |
Inchi Key | DHWSJRFMKGNOLK-GOSISDBHSA-N |
Inchi ID | InChI=1S/C28H25FN4O4/c1-17-25(30-27(36)37-18(2)23-5-3-4-6-24(23)29)33(32-31-17)22-13-9-20(10-14-22)19-7-11-21(12-8-19)28(15-16-28)26(34)35/h3-14,18H,15-16H2,1-2H3,(H,30,36)(H,34,35)/t18-/m1/s1 |
PubChem CID | 71461120 |
ChEMBL | CHEMBL2182030 |
IUPHAR | N/A |
BindingDB | 50398122 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
60441 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
60442 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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