6-hydroxymelatonin
SMILES | COc1cc2c(CCNC(=O)C)c[nH]c2cc1O |
InChIKey | OMYMRCXOJJZYKE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 248.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT1 | MTR1A | Human | Melatonin | A | pKi | 8.9 | 9.05 | 9.2 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 8.3 | 8.55 | 8.8 | Guide to Pharmacology |
MT1 | MTR1A | Human | Melatonin | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
MT2 | MTR1B | Human | Melatonin | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |