CHEMBL171117 [122216]
CHEMBL171117
| SMILES | CSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C=C(CO)CN1C |
| InChIKey | PRQOGIVBHQWVIM-IUODEOHRSA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 2 |
| Log P | 2.762 |
| Molecular weight (Da) | 300.1 |
| 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 |
CHEMBL171117
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