CHEMBL3759054
| SMILES | COc1ccc2ccc3occ(CNC(=O)C(C)C)c3c2c1 |
| InChIKey | PSTWWJGKGVTVBX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 297.1 |
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 | 7.62 | 7.62 | 7.62 | ChEMBL |
| MT1 | MTR1A | Human | Melatonin | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MT2 | MTR1B | Human | Melatonin | A | pEC50 | 8.06 | 8.06 | 8.06 | ChEMBL |
| MT1 | MTR1A | Human | Melatonin | A | pEC50 | 8.09 | 8.09 | 8.09 | ChEMBL |