CHEMBL320736


SMILES CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1
InChIKey QJNQCJFRBTWUEL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 14
Molecular weight (Da) 705.3

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 6.75 6.75 6.75 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.38 6.38 6.38 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.12 6.12 6.12 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.05 6.05 6.05 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.94 7.94 7.94 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.64 5.64 5.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database