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Name | CHEMBL3403625 |
---|---|
Molecular formula | C22H17F3N2O5 |
IUPAC name | 2-[8-[[3-cyano-5-(trifluoromethoxy)phenyl]methoxy]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-1-yl]acetic acid |
Molecular weight | 446.382 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | BDBM50063889 SCHEMBL948995 |
Inchi Key | AATFDQYTMDDOJM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H17F3N2O5/c23-22(24,25)32-17-6-13(11-26)5-14(7-17)12-31-16-1-2-18-15(8-16)9-19-20(10-21(28)29)30-4-3-27(18)19/h1-2,5-9,20H,3-4,10,12H2,(H,28,29) |
PubChem CID | 49873196 |
ChEMBL | CHEMBL3403625 |
IUPHAR | N/A |
BindingDB | 50063889 |
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 |
---|---|---|---|---|---|
441689 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
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