CHEMBL1562657 [97067]
CHEMBL1562657
| SMILES | C#CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C |
| InChIKey | BITHABUTZRAUGT-LJQANCHMSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Log P | 2.911 |
| Molecular weight (Da) | 398.1 |
| 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 |
CHEMBL1562657
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