fingolimod-phosphate
| SMILES | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N |
| InChIKey | LRFKWQGGENFBFO-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 14 |
| Molecular weight (Da) | 387.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
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 | pEC50 | 8.1 | 9.16 | 9.5 | Guide to Pharmacology |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 9.52 | 9.52 | 9.52 | Guide to Pharmacology |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.46 | 7.46 | 7.46 | Guide to Pharmacology |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.8 | 8.6 | 9.4 | Guide to Pharmacology |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.6 | 7.91 | 9.22 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.2 | 8.86 | 9.52 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pIC50 | 9.22 | 9.22 | 9.22 | Guide to Pharmacology |
| S1P4 | S1PR4 | Mouse | Lysophospholipid (S1P) | A | pEC50 | 7.15 | 7.15 | 7.15 | Guide to Pharmacology |
| S1P1 | S1PR1 | Mouse | Lysophospholipid (S1P) | A | pEC50 | 8.2 | 8.85 | 9.5 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.4 | 8.44 | 9.4 | ChEMBL |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pIC50 | 9.11 | 9.11 | 9.11 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.39 | 8.65 | 10.05 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.01 | 8.21 | 10.0 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.2 | 8.2 | 8.2 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.85 | 9.16 | 10.7 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 9.55 | 9.98 | 10.85 | ChEMBL |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.96 | 7.54 | 9.11 | ChEMBL |