CHEMBL448620


SMILES COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1
InChIKey FIIXCJGBCCCOQQ-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
Endogenous/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 6.39 6.84 7.87 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.93 6.03 6.1 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.88 6.22 6.43 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.43 9.16 9.7 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.98 6.43 7.18 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.48 5.78 5.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database