CHEMBL491604


SMILES COc1ccc2cc(-c3cccc(C=O)c3)cc(CCNC(C)=O)c2c1
InChIKey UPVFDHUOFQXFQX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 347.2

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
MT2 MTR1B Human Melatonin A pKi 9.38 9.38 9.38 ChEMBL
MT1 MTR1A Human Melatonin A pKi 6.86 6.86 6.86 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.38 9.38 9.38 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