CHEMBL161108 [117490]
CHEMBL161108
| SMILES | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3CO)cc2)CC[C@@H]1N1CCCCCC1 |
| InChIKey | KCLYPNKWGQYJSE-LYFCCYKMSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Log P | 5.576 |
| Molecular weight (Da) | 507.3 |
| Stereochemistry info | full |
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 |
CHEMBL161108
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