CHEMBL5772062
| SMILES | N#Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)c(F)c2)c2cc3ccccc3cn2)cc1F |
| InChIKey | RZVHTPYXTFVJTN-QHCPKHFHSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 433.1 |
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 |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.34 | 7.34 | 7.34 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.37 | 5.37 | 5.37 | ChEMBL |