ENTACAPONE


SMILES CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1
InChIKey JRURYQJSLYLRLN-BJMVGYQFSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 305.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR35 GPR35 Human A orphans A pEC50 4.18 4.71 5.25 ChEMBL
GPR35 GPR35 Human A orphans A pEC50 8.28 8.28 8.28 Drug Central