CHEMBL284470


SMILES CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1
InChIKey SZTNZABXFFPBMM-PKUSAGTQSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 622.3

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 6.87 7.03 7.19 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.48 6.66 6.84 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.43 6.43 6.43 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.55 6.55 6.55 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.83 8.03 8.23 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.19 6.19 6.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database