CHEMBL5498852


SMILES CNc1cc[n+](CCNC(=O)c2ccn3c(-c4c(C)noc4C)cnc3c2)cc1
InChIKey AWFNYCNUUWNEDD-UHFFFAOYSA-O

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 391.2

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
α2B ADA2B Human Adrenoceptors A pKi 7.35 7.46 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Rat Adrenoceptors A pIC50 7.89 7.89 7.89 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 7.6 7.73 7.85 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 5.26 5.26 5.26 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.0 5.0 5.0 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.85 5.85 5.85 ChEMBL