CHEMBL6020874 [450983]
CHEMBL6020874
| SMILES | COc1cccc2c1nc(N)n1nc(C3CCCC(O)(c4cnn(CC(C)(C)O)c4)C3)nc21 |
| InChIKey | NMHKBAWEMIHTMM-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 5 |
| Log P | 2.381 |
| Molecular weight (Da) | 451.2 |
| Stereochemistry info | unspecified |
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 |
CHEMBL6020874
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