CHEMBL1322078
| SMILES | COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 |
| InChIKey | WJHCCSRZEBRIMU-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 302.1 |
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 |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.48 | 5.72 | 5.97 | ChEMBL |