CHEMBL246054 [193880]
CHEMBL246054
| SMILES | COCCOc1ccc(C2CCN(CCn3cnc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1 |
| InChIKey | HYPCCOLGSMPPRJ-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Log P | 3.221 |
| Molecular weight (Da) | 502.2 |
| 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 |
CHEMBL246054
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