EFPPEA
SMILES | CCc1nn2c(c1CCNC(=O)C)c1CCOc1cc2 |
InChIKey | IZDHETWMKYCGAU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 273.1 |
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 |
MT1 | MTR1A | Human | Melatonin | A | pKi | 10.2 | 10.2 | 10.2 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 9.4 | 9.4 | 9.4 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 9.38 | 9.38 | 9.38 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 10.21 | 10.21 | 10.21 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT2 | MTR1B | Human | Melatonin | A | pEC50 | 9.28 | 9.28 | 9.28 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pEC50 | 10.68 | 10.68 | 10.68 | ChEMBL |