CHEMBL327931


SMILES CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey XETGFITVYCWVGB-KDJFERLWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 566.2

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
α1A ADA1A Human Adrenoceptors A pKi 9.28 9.28 9.28 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.38 7.38 7.38 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.9 6.9 6.9 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.96 6.96 6.96 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.04 7.04 7.04 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.32 7.32 7.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database