CHEMBL3742090
| SMILES | COc1ccc2cccc(CCNC(=O)C(Cl)Cl)c2c1 |
| InChIKey | WDACSSCUMVSXTR-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 311.0 |
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 | 8.7 | 8.72 | 8.75 | ChEMBL |
| MT1 | MTR1A | Human | Melatonin | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |