CHEMBL1928220 [141571]
CHEMBL1928220
| SMILES | O[C@H](/C=C/[C@@H]1[C@H]2c3cccc(CCc4nnn[nH]4)c3O[C@H]2C[C@H]1O)CC1CCCCC1 |
| InChIKey | VLFOPQQEYFUEHI-PQEHKDGBSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Log P | 3.098 |
| Molecular weight (Da) | 424.2 |
| 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 |
CHEMBL1928220
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