CHEMBL396132
| SMILES | COc1cccc(OCCNC(C)=O)c1 |
| InChIKey | VVQJGZNKMCZNDX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 209.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MT2 | MTR1B | Human | Melatonin | A | pKi | 7.17 | 7.54 | 7.9 | ChEMBL |
| MT1 | MTR1A | Human | Melatonin | A | pKi | 7.39 | 7.77 | 8.14 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |