ozanimod
| SMILES | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C |
| InChIKey | XRVDGNKRPOAQTN-FQEVSTJZSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 404.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Structure pdb | 7EW0 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 9.556666666666667 | 9.56 | 9.56 | Guide to Pharmacology |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.609999999999999 | 7.61 | 7.61 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.26 | 7.81 | 8.37 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.02 | 5.02 | 5.02 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.03 | 8.03 | 8.03 | Drug Central |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.3 | 8.3 | 8.3 | Drug Central |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.3 | 8.3 | 8.3 | Drug Central |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.27 | 8.27 | 8.27 | Drug Central |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.1 | 8.1 | 8.1 | Drug Central |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 9.39 | 9.7 | 9.8 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |