CHEMBL1978488 [144351]
CHEMBL1978488
| SMILES | CCOC(=O)CSC1=C(C#N)C(c2ccco2)/C(=C(\O)OCc2ccccc2)C(C)=N1 |
| InChIKey | WTBQXBSRBGMOFA-BSYVCWPDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Log P | 4.856 |
| Molecular weight (Da) | 438.1 |
| 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 |
CHEMBL1978488
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