CHEMBL316495


SMILES CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1
InChIKey XWUSTWDFKOHGNW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 14
Molecular weight (Da) 663.4

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 6.74 6.74 6.74 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.42 6.42 6.42 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.29 6.29 6.29 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.36 6.36 6.36 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.42 8.42 8.42 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.02 6.02 6.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database