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Name | CHEMBL3126622 |
---|---|
Molecular formula | C27H34N4O5 |
IUPAC name | N-[(2S)-3-[4-[5-(6-cyclopentyl-5-methylpyridin-3-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide |
Molecular weight | 494.592 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 3.6 |
Synonyms | N/A |
Inchi Key | AJNUGGYZUUFYOF-QFIPXVFZSA-N |
Inchi ID | InChI=1S/C27H34N4O5/c1-4-18-11-20(10-17(3)25(18)35-15-22(33)13-28-23(34)14-32)26-30-27(36-31-26)21-9-16(2)24(29-12-21)19-7-5-6-8-19/h9-12,19,22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t22-/m0/s1 |
PubChem CID | 76314625 |
ChEMBL | CHEMBL3126622 |
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 |
---|---|---|---|---|---|
7076 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
7075 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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