CHEMBL138228
SMILES | O=C(N[C@@H]1CCN(c2cccc3c2CCO3)C1)C1CC1 |
InChIKey | MYPJFFALPYPMPA-GFCCVEGCSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 272.2 |
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 | 7.46 | 7.46 | 7.46 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 8.41 | 8.41 | 8.41 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |