CHEMBL556908
SMILES | CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCN(C)C2 |
InChIKey | FVPYDHLENFAFQH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 329.2 |
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 | 8.16 | 8.16 | 8.16 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 8.18 | 8.18 | 8.18 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT1 | MTR1A | Human | Melatonin | A | pIC50 | 8.5 | 8.5 | 8.5 | ChEMBL |