CHEMBL3133072 [215724]
CHEMBL3133072
| SMILES | CCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O |
| InChIKey | KUBDUANGTFMYNQ-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Log P | 3.883 |
| Molecular weight (Da) | 301.1 |
| Stereochemistry info | unspecified |
Database connections
| Ligand site mutations | A2A |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL3133072
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Ligand site mutations | A2A |