2-(indolin-1yl)-melatonin


SMILES COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)CN1CCc2c1cccc2
InChIKey WPMBIMXWTHXWHN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 363.2

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
MT2 MTR1B Human Melatonin A pKi 8.9 8.9 8.9 Guide to Pharmacology
MT1 MTR1A Human Melatonin A pKi 6.94 6.97 7.0 ChEMBL
MT2 MTR1B Human Melatonin A pKi 8.93 8.95 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database