CHEMBL2112907 [160381]
CHEMBL2112907
| SMILES | CN(C)c1ccc(C(=O)n2cc(/C=N/NC(=O)c3ccc(O)c(C#N)c3)c3ccccc32)cc1 |
| InChIKey | FPTUBRWHVIAXAG-RWPZCVJISA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Log P | 3.737 |
| 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 |
CHEMBL2112907
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