CHEMBL1916559
| SMILES | O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 |
| InChIKey | YGAMOUONCVBLTE-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 499.1 |
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 |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.51 | 5.51 | 5.51 | ChEMBL |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.06 | 7.06 | 7.06 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.41 | 7.88 | 8.34 | ChEMBL |
| S1P1 | S1PR1 | Rat | Lysophospholipid (S1P) | A | pEC50 | 8.89 | 8.89 | 8.89 | ChEMBL |
| S1P1 | S1PR1 | Mouse | Lysophospholipid (S1P) | A | pEC50 | 8.85 | 8.85 | 8.85 | ChEMBL |