CHEMBL91956


SMILES CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1
InChIKey YQTAOHSPORUWMC-WUVHBKSUSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 594.3

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 7.11 7.11 7.11 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.94 5.94 5.94 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.29 6.29 6.29 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.61 6.61 6.61 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.06 8.06 8.06 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.35 6.35 6.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database