CHEMBL315538


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

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 593.3

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 6.69 6.69 6.69 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.31 6.31 6.31 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.82 5.82 5.82 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.94 5.94 5.94 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.15 8.15 8.15 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.66 5.66 5.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database