CHEMBL12364


SMILES O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1
InChIKey HJDROFKHSGSZLZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 460.2

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
α1A ADA1A Human Adrenoceptors A pKi 6.89 6.89 6.89 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.0 5.0 5.0 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.27 5.27 5.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database