CHEMBL5967463 [446022]
CHEMBL5967463
| SMILES | COc1ccc(CNC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3ccsc23)cn1 |
| InChIKey | QXEDYPVMMKZPHS-ZDUSSCGKSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Log P | 3.593 |
| Molecular weight (Da) | 420.1 |
| Stereochemistry info | full |
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 |
CHEMBL5967463
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