CHEMBL245568 [184158]
CHEMBL245568
| SMILES | COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 |
| InChIKey | CUWYXEKZVGDQDJ-SANMLTNESA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Log P | 4.883 |
| Molecular weight (Da) | 456.2 |
| Stereochemistry info | full |
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 |
CHEMBL245568
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