CHEMBL327712


SMILES CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1
InChIKey JZHXLYHEWUWHQL-LVYIWIAJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 631.2

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 6.94 6.94 6.94 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.49 6.49 6.49 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.9 5.9 5.9 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.8 6.8 6.8 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.73 8.73 8.73 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database