CHEMBL101694 [18805]
CHEMBL101694
| SMILES | O=C1[C@@H]2Oc3c(O)ccc4c3C23CCN(CC2CC2)C(C4)[C@]3(O)C[C@]12CCc1ccccc1C2 |
| InChIKey | XALNSWJGDWVXQW-MVSWAQHNSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 2 |
| Log P | 3.311 |
| Molecular weight (Da) | 457.2 |
| Stereochemistry info | partial |
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 |
CHEMBL101694
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