CHEMBL327775


SMILES CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1
InChIKey JAXIKFIDJJLTAT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 575.3

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
α1B ADA1B Human Adrenoceptors A pKi 6.78 6.78 6.78 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.36 6.36 6.36 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.08 6.08 6.08 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.32 6.32 6.32 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.25 7.25 7.25 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database