[3H]melatonin


SMILES COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2
InChIKey DRLFMBDRBRZALE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 232.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pKd 9.4 9.65 9.9 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKd 9.0 9.3 9.6 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 9.02 9.49 9.92 ChEMBL
MT2 MTR1B Human Melatonin A pKd 9.82 9.82 9.82 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.06 9.59 10.1 ChEMBL
MT1 MTR1A Human Melatonin A pKd 9.82 9.82 9.82 ChEMBL
H3 HRH3 Human Histamine A pKi 9.3 9.3 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 7.6 9.36 10.16 ChEMBL
MT2 MTR1B Human Melatonin A pIC50 9.28 9.36 9.52 ChEMBL
MT1 MTR1A Human Melatonin A pIC50 9.0 9.55 9.96 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.65 9.67 10.66 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 7.2 7.2 7.2 ChEMBL