CHEMBL3798293 [277039]
CHEMBL3798293
| SMILES | CCc1cc(-c2noc(-c3ccc(CNC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO |
| InChIKey | BTJJUNZYPIHVBH-SFHVURJKSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 12 |
| Log P | 2.682 |
| Molecular weight (Da) | 488.2 |
| Stereochemistry info | full |
Database connections
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 |
CHEMBL3798293
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