CHEMBL313160


SMILES CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1
InChIKey BTYBILKFYYEYRM-PKUSAGTQSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 638.3

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 6.79 6.79 6.79 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.5 6.5 6.5 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.24 6.24 6.24 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.4 6.4 6.4 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.83 8.83 8.83 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