CHEMBL4176330 [328065]
CHEMBL4176330
| SMILES | COc1cc([C@@H](O)[C@@H](CCCc2ccccc2)Cn2cnc(CC(=O)O)c2)cc(OC)c1C |
| InChIKey | FUEJPQSVWHPMDO-FNZWTVRRSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Log P | 4.209 |
| Molecular weight (Da) | 452.2 |
| Stereochemistry info | full |
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 |
CHEMBL4176330
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