S24773


SMILES COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)N
InChIKey RUYDBTKHRKQOLY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 334.2

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
MT1 MTR1A Human Melatonin A pKi 7.1 7.1 7.1 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 9.3 9.45 9.6 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 9.57 9.57 9.57 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.09 7.09 7.09 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.57 9.57 9.57 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.89 8.89 8.89 ChEMBL