BGC201531


SMILES COc1ccc(nc1)c1ccc(cc1)OCC1CC(OC1C)C(=O)NS(=O)(=O)c1ccccc1C
InChIKey BGXAOTTWXYPIQN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 496.2

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 9.48 9.52 9.6 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.39 7.44 7.57 ChEMBL
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
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