CHEMBL180013 [126219]
CHEMBL180013
| SMILES | CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 |
| InChIKey | HBMQRAUFUVCBQD-OKJCBAKCSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 10 |
| Log P | 5.388 |
| Molecular weight (Da) | 575.3 |
| 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 |
CHEMBL180013
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