CHEMBL284103


SMILES CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1
InChIKey YMSCVVXGMWMEMM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 607.3

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 6.31 6.36 6.38 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.12 6.18 6.21 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.03 6.04 6.04 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.49 6.49 6.49 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.35 8.43 8.51 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database