AUY954
| SMILES | OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 |
| InChIKey | SKYYWSWIUKISCX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 455.1 |
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 | 8.92 | 8.92 | 8.92 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.47 | 6.47 | 6.47 | Guide to Pharmacology |
| S1P3 | S1PR3 | Mouse | Lysophospholipid (S1P) | A | pEC50 | 5.9 | 5.93 | 5.96 | Guide to Pharmacology |
| S1P4 | S1PR4 | Mouse | Lysophospholipid (S1P) | A | pEC50 | 5.0 | 5.5 | 6.0 | Guide to Pharmacology |
| S1P5 | S1PR5 | Mouse | Lysophospholipid (S1P) | A | pEC50 | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| S1P1 | S1PR1 | Mouse | Lysophospholipid (S1P) | A | pEC50 | 9.05 | 9.05 | 9.05 | Guide to Pharmacology |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.92 | 8.92 | 8.92 | ChEMBL |
| S1P2 | S1PR2 | Mouse | Lysophospholipid (S1P) | A | pEC50 | 4.7 | 4.85 | 5.0 | Guide to Pharmacology |