CHEMBL149888 [85816]
CHEMBL149888
| SMILES | CCOc1cccc2c1O[C@@H](CN1[C@@H]3CC[C@H]1C[C@](O)(c1cccc(C(F)(F)F)c1)C3)CO2 |
| InChIKey | DHPMRJVQVJNDOM-CMCWBKRRSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Log P | 4.758 |
| Molecular weight (Da) | 463.2 |
| 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 |
CHEMBL149888
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