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Name | CHEMBL3797486 |
---|---|
Molecular formula | C27H36N4O6 |
IUPAC name | N-[(2S)-3-[2-ethyl-4-[5-(6-methoxy-4-pentan-3-ylpyridin-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide |
Molecular weight | 512.607 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 4.1 |
Synonyms | BDBM50164811 |
Inchi Key | AIXCEJHOVYYGTB-NRFANRHFSA-N |
Inchi ID | InChI=1S/C27H36N4O6/c1-6-17(7-2)19-11-22(29-24(12-19)35-5)27-30-26(31-37-27)20-9-16(4)25(18(8-3)10-20)36-15-21(33)13-28-23(34)14-32/h9-12,17,21,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t21-/m0/s1 |
PubChem CID | 127046400 |
ChEMBL | CHEMBL3797486 |
IUPHAR | N/A |
BindingDB | 50164811 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
521639 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
521640 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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