CHEMBL1760955


SMILES COc1ccc2c(C(=O)C(F)(F)F)cn(CCNC(C)=O)c2n1
InChIKey JDACSMSKZRUGMB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 329.1

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
MT1 MTR1A Human Melatonin A pKi 7.04 7.04 7.04 ChEMBL
MT2 MTR1B Human Melatonin A pKi 7.52 7.52 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pEC50 7.03 7.03 7.03 ChEMBL
MT2 MTR1B Human Melatonin A pEC50 8.0 8.0 8.0 ChEMBL