CHEMBL4104020


SMILES COc1ccc2cccc(C(CO)CNC(=O)C(F)F)c2c1
InChIKey XZEYGNFLOALHLU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 309.1

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
MT2 MTR1B Human Melatonin A pKi 9.46 9.46 9.46 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.72 8.72 8.72 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.16 6.16 6.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.43 9.43 9.43 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.99 7.99 7.99 ChEMBL