CHEMBL3759080
SMILES | CCNC(=O)NCc1cc2c(ccc3ccc(OC)cc32)o1 |
InChIKey | RMWXVXXNUFZESP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 298.1 |
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 | 8.38 | 8.38 | 8.38 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 7.77 | 7.77 | 7.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT2 | MTR1B | Human | Melatonin | A | pEC50 | 8.0 | 8.0 | 8.0 | ChEMBL |