CHEMBL280678 [199317]
CHEMBL280678
| SMILES | C[C@@H](O)CN1CCC[C@@H](C(=O)NC2CC3CCC2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1 |
| InChIKey | HVJYYRXRRUKYEO-JOPYXPHFSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Log P | 3.700 |
| Molecular weight (Da) | 571.3 |
| 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 |
CHEMBL280678
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