CHEMBL3392247


SMILES COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1
InChIKey ZCZTWAKGRMWSEI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 608.3

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 6.63 6.63 6.63 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.37 6.37 6.37 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.91 5.91 5.91 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.25 6.25 6.25 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.4 9.4 9.4 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.81 5.81 5.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database