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Name | CHEMBL3948795 |
---|---|
Molecular formula | C27H29N5O4 |
IUPAC name | (3R)-N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxypiperidine-1-carboxamide |
Molecular weight | 487.56 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.4 |
Synonyms | SCHEMBL12421288 |
Inchi Key | AGXOFTPHIOIAFM-AUSIDOKSSA-N |
Inchi ID | InChI=1S/C27H29N5O4/c1-16(2)35-24-11-8-17(13-18(24)14-28)26-30-25(31-36-26)22-7-3-6-21-20(22)9-10-23(21)29-27(34)32-12-4-5-19(33)15-32/h3,6-8,11,13,16,19,23,33H,4-5,9-10,12,15H2,1-2H3,(H,29,34)/t19-,23-/m1/s1 |
PubChem CID | 58344538 |
ChEMBL | CHEMBL3948795 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
536070 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
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