CHEMBL5899054 [429578]
CHEMBL5899054
| SMILES | COc1c(O)c(C(N)=O)cc(-c2cn(CC(=O)Nc3cc(N4C[C@@H](C)O[C@@H](C)C4)ncc3Cl)c3ncn(C)c(=O)c23)c1F |
| InChIKey | XFKHAWDLKVUDHX-OKILXGFUSA-N |
Chemical Properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Log P | 2.655 |
| Molecular weight (Da) | 613.2 |
| 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 |
CHEMBL5899054
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