CHEMBL4548591
SMILES | CC(=O)NCCc1c(Br)[nH]c2ccc(OCCO)cc12 |
InChIKey | WNRFVCHGXYUFGY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 340.0 |
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 | 7.7 | 7.7 | 7.7 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 8.84 | 8.84 | 8.84 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |