fingolimod
| SMILES | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N |
| InChIKey | KKGQTZUTZRNORY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 307.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
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 | pIC50 | 6.08 | 6.08 | 6.08 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.68 | 5.68 | 5.68 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.5 | 7.51 | 9.52 | ChEMBL |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 9.52 | 9.52 | 9.52 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.6 | 7.06 | 8.52 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.52 | 7.97 | 9.52 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.08 | 6.15 | 6.22 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.07 | 8.07 | 8.07 | Drug Central |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.02 | 8.02 | 8.02 | Drug Central |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.02 | 8.02 | 8.02 | Drug Central |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.02 | 8.02 | 8.02 | Drug Central |