NAPHTHYRIDINONE


SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIKey VHSIAYLBCLUAFT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 513.0

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
α2C ADA2C Human Adrenoceptors A pKi 5.95 5.95 5.95 ChEMBL
A3 AA3R Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pIC50 5.33 5.37 5.39 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 8.12 8.12 8.12 ChEMBL
CB1 CNR1 Human Cannabinoid A pEC50 8.31 8.31 8.31 ChEMBL