CHEMBL4283539
SMILES | CNC(=O)NCC1CCc2ccc3ccc(OC)nc3c21 |
InChIKey | VJTRREVTRHLLRD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 285.1 |
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 |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
MT2 | MTR1B | Human | Melatonin | A | pKi | 9.7 | 9.7 | 9.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT1 | MTR1A | Human | Melatonin | A | pEC50 | 9.7 | 9.7 | 9.7 | ChEMBL |