CHEMBL1623673 [118733]
CHEMBL1623673
| SMILES | COc1cc(/C=C2\SC(=O)N(CCN)C2=O)ccc1OS(=O)(=O)c1cc(C)ccc1C |
| InChIKey | XTFLFSBYKYFWNZ-PDGQHHTCSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Log P | 3.075 |
| Molecular weight (Da) | 462.1 |
| 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 |
CHEMBL1623673
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