CHEMBL4852096
SMILES | CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O |
InChIKey | LRRDNGSYVNSAEO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 311.1 |
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 | 9.03 | 9.03 | 9.03 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 9.06 | 9.06 | 9.06 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT2 | MTR1B | Human | Melatonin | A | pEC50 | 9.57 | 9.57 | 9.57 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pEC50 | 9.85 | 10.16 | 10.46 | ChEMBL |