CHEMBL4228097 [330062]
CHEMBL4228097
| SMILES | Cc1cnc(C(=O)N[C@H]2CCOC(O)[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1 |
| InChIKey | CHHQBZRMBDOPBI-UNEGGNDLSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 5 |
| Log P | 2.302 |
| Molecular weight (Da) | 425.1 |
| Stereochemistry info | partial |
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 |
CHEMBL4228097
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