GR 196429
SMILES | CC(=O)NCCN1CCc2c1c1CCOc1cc2 |
InChIKey | LTYWTNUOUBBVNZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 246.1 |
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 | 9.7 | 9.75 | 9.8 | Guide to Pharmacology |
MT1 | MTR1A | Human | Melatonin | A | pKi | 8.64 | 9.25 | 9.85 | PDSP Ki database |
MT2 | MTR1B | Human | Melatonin | A | pKi | 9.32 | 9.56 | 9.8 | PDSP Ki database |
MT1 | MTR1A | Human | Melatonin | A | pKi | 9.4 | 9.65 | 9.9 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |