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Name | CHEMBL3986752 |
---|---|
Molecular formula | C25H22FNO4 |
IUPAC name | 4-[[cyclopropylmethyl-[4-(2-fluorophenoxy)benzoyl]amino]methyl]benzoic acid |
Molecular weight | 419.452 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | TAK-615 US9464060, 5 BDBM251669 SCHEMBL16506625 1664335-55-0 [ Show all ] |
Inchi Key | LEZVXIZCJXKBJY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H22FNO4/c26-22-3-1-2-4-23(22)31-21-13-11-19(12-14-21)24(28)27(15-17-5-6-17)16-18-7-9-20(10-8-18)25(29)30/h1-4,7-14,17H,5-6,15-16H2,(H,29,30) |
PubChem CID | 90659729 |
ChEMBL | CHEMBL3986752 |
IUPHAR | N/A |
BindingDB | 251669 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
540739 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
540740 | Lysophosphatidic acid receptor 5 | Q9H1C0 | LPAR5 | Homo sapiens (Human) | 372 |
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