CHEMBL6032497 [452066]
CHEMBL6032497
| SMILES | COc1cc(F)cc2c1nc(N)n1nc([C@@H]3CCCN(c4cnn(C(C)(C)CO)c4)C3)nc21 |
| InChIKey | LRCWNGOOEQWGGB-CYBMUJFWSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Log P | 2.315 |
| Molecular weight (Da) | 454.2 |
| 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 |
CHEMBL6032497
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