CHEMBL179334


SMILES CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1
InChIKey BBOBQBOYMRDFSY-GADTUSCJSA-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 6.75 6.75 6.75 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.11 6.11 6.11 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.17 6.17 6.17 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.74 9.74 9.74 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.2 6.2 6.2 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database