CHEMBL86419 [473173]
CHEMBL86419
| SMILES | COc1ccc(S(=O)(=O)N(C)C[C@@H](CCN2CCC3(CC2)C[S+]([O-])c2ccccc23)c2ccc(Cl)c(Cl)c2)cc1 |
| InChIKey | CBYZGFYDJQMMJL-YBXHNAATSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 9 |
| Log P | 5.951 |
| Molecular weight (Da) | 620.1 |
| Stereochemistry info | partial |
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 |
CHEMBL86419
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