CHEMBL4087633
SMILES | COc1ccc2cccc([C@@H](CO)CNC(=O)CF)c2c1 |
InChIKey | UABQHOOBSITMAZ-GFCCVEGCSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 291.1 |
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 | 9.01 | 9.01 | 9.01 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 8.23 | 8.23 | 8.23 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.73 | 6.73 | 6.73 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT2 | MTR1B | Human | Melatonin | A | pEC50 | 9.1 | 9.1 | 9.1 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pEC50 | 7.1 | 7.1 | 7.1 | ChEMBL |