CHEMBL5856619 [425682]
CHEMBL5856619
| SMILES | Cc1cnccc1-c1ccc(S(=O)(=O)c2c(O)n([C@H](c3cccc(C#N)c3)C3CC3)c(CC3CC3)nc2=O)cc1 |
| InChIKey | HJDBJGRKHATQBJ-NDEPHWFRSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Log P | 4.976 |
| Molecular weight (Da) | 552.2 |
| 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 |
CHEMBL5856619
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