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Name | CHEMBL246735 |
---|---|
Molecular formula | C22H20ClN3O6 |
IUPAC name | 4-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-3-yl]anilino]-4-oxobutanoic acid |
Molecular weight | 457.867 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 2.7 |
Synonyms | 4-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)phenylamino)-4-oxobutanoic acid BDBM50211655 OMOMFBJGKABUGF-UHFFFAOYSA-N 4-[(4-{4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-isoxazolyl}phenyl)amino]-4-oxobutanoic Acid SCHEMBL4025130 |
Inchi Key | OMOMFBJGKABUGF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H20ClN3O6/c1-13(16-4-2-3-5-17(16)23)32-22(30)25-18-12-31-26-21(18)14-6-8-15(9-7-14)24-19(27)10-11-20(28)29/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,30)(H,28,29) |
PubChem CID | 11167018 |
ChEMBL | CHEMBL246735 |
IUPHAR | N/A |
BindingDB | 50211655 |
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 |
---|---|---|---|---|---|
245086 | Lysophosphatidic acid receptor 1 | P61794 | Lpar1 | Rattus norvegicus (Rat) | 364 |
245087 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
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