CHEMBL3392246


SMILES COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1
InChIKey KPTMOEWLVJTEEX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 609.3

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 7.07 7.07 7.07 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.52 6.52 6.52 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.12 6.12 6.12 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.77 5.77 5.77 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.48 8.48 8.48 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.99 5.99 5.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database