compound 12 [PMID: 26238322]


SMILES FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4
InChIKey IVAFCEYIMKCAJY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 391.2

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 9.8 9.8 9.8 Guide to Pharmacology
α1A ADA1A Rat Adrenoceptors A pKi 7.62 7.62 7.62 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.8 7.8 7.8 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 9.21 9.21 9.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pIC50 6.25 6.25 6.25 ChEMBL