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
Endogenous/Surrogate Endogenous
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.2 5.2 5.2 Guide to Pharmacology
MT1 MTR1A Human Melatonin A pKi 9.1 9.4 9.7 Guide to Pharmacology
MT1 MTR1A Human Melatonin A pKd 9.4 9.65 9.9 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 9.4 9.6 9.8 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 9.48 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
5-HT5A 5HT5A Rat 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.0 5.16 5.24 PDSP Ki database
MT1 MTR1A Human Melatonin A pKi 7.4 9.38 11.0 PDSP Ki database
MT2 MTR1B Human Melatonin A pKi 8.26 9.57 10.52 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 Drug Central
H3 HRH3 Human Histamine A pKi 8.03 8.03 8.03 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pIC50 9.28 9.36 9.52 ChEMBL
MT2 MTR1B Human Melatonin A pEC50 7.6 9.29 10.16 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.65 9.62 10.66 ChEMBL
MT1 MTR1A Human Melatonin A pIC50 9.0 9.55 9.96 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 8.03 8.03 8.03 Drug Central
MT2 MTR1B Human Melatonin A pEC50 8.01 8.01 8.01 Drug Central
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 7.2 7.2 7.2 ChEMBL