S24014


SMILES COc1cccc(c1)Cc1oc2c(c1CCNC(=O)C)cc(cc2)OC
InChIKey GNWDMICUDNQPEK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 353.2

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 7.5 7.5 7.5 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 9.6 9.6 9.6 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 9.48 9.52 9.6 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.39 7.44 7.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.14 9.14 9.14 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.43 7.43 7.43 ChEMBL