CHEMBL89243


SMILES CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1
InChIKey OUDWCNZTASZGHL-PKUSAGTQSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 588.3

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 6.82 6.82 6.82 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.42 6.42 6.42 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.9 5.9 5.9 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.06 6.06 6.06 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.74 8.74 8.74 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.12 6.12 6.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database