CHEMBL323332


SMILES COc1ccc2occ(CCNC(C)=O)c2c1
InChIKey BTVRPXLAXZPZPV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 233.1

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
MT2 MTR1B Human Melatonin A pKi 9.47 9.47 9.47 ChEMBL
MT1 MTR1A Human Melatonin A pKi 9.82 9.82 9.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pIC50 9.15 9.15 9.15 ChEMBL
MT1 MTR1A Human Melatonin A pIC50 8.8 9.01 9.22 ChEMBL