CHEMBL218708
SMILES | COc1cccc(/C(=C/CNC(C)=O)c2ccccc2)c1 |
InChIKey | SJNURYXTMIYOKB-WOJGMQOQSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 281.1 |
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 | 8.6 | 9.13 | 9.66 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 6.64 | 7.61 | 8.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |