CHEMBL88388


SMILES CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2
InChIKey FOGMNVRCPAJQDZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 591.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 6.42 6.42 6.42 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.34 6.34 6.34 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.42 6.42 6.42 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.39 6.39 6.39 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.05 8.05 8.05 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.02 6.02 6.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database