CHEMBL4281915
SMILES | CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c21 |
InChIKey | BFMFHHBVYCVTTH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 300.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT2 | MTR1B | Human | Melatonin | A | pKi | 8.05 | 9.19 | 10.0 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 7.0 | 7.97 | 8.52 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.52 | 7.79 | 8.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT2 | MTR1B | Human | Melatonin | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pEC50 | 8.0 | 8.05 | 8.1 | ChEMBL |