etrasimod [3282]
etrasimod
| SMILES | O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 |
| InChIKey | MVGWUTBTXDYMND-QGZVFWFLSA-N |
Chemical Properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Log P | 6.928 |
| Molecular weight (Da) | 457.2 |
| Stereochemistry info | full |
Database connections
| Model (Boltz2) | S1P1 |
No bioactivity data available.
etrasimod
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Model (Boltz2) | S1P1 |