CHEMBL1569028 [103226]
CHEMBL1569028
| SMILES | CCOc1ccccc1NC(=O)CSC1=C(C#N)C(c2ccco2)C(C(=O)Nc2nc3ccccc3s2)=C(C)N1 |
| InChIKey | XFCAXJIYEYPZET-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 9 |
| Log P | 5.995 |
| Molecular weight (Da) | 571.1 |
| 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 |
CHEMBL1569028
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