CHEMBL3103664 [214157]
CHEMBL3103664
| SMILES | COc1cc(OCCO)cc(OC)c1CCC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C |
| InChIKey | QNUZJSWZRAWSCZ-VGOFRKELSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Log P | 4.556 |
| Molecular weight (Da) | 430.2 |
| 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 |
CHEMBL3103664
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