CHEMBL5499712 [389795]
CHEMBL5499712
| SMILES | Cc1c(C(=O)O)cccc1[C@@H]1C[C@H](CN[C@H](C)c2cccc3ccccc23)Oc2ccccc21 |
| InChIKey | RHDOYEBMHKXDAM-SAFLGMMZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Log P | 6.480 |
| Molecular weight (Da) | 451.2 |
| 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 |
CHEMBL5499712
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