CHEMBL1651860
| SMILES | CC(C)(c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 |
| InChIKey | QUWSDCUDDZSZRI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 461.2 |
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 |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.6 | 5.6 | 5.6 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.48 | 7.48 | 7.48 | ChEMBL |