compound 5g [PMID: 21571530]


SMILES O=C(NCc1onc(c1)c1ccc(c(c1)C(F)(F)F)F)CCCc1ccc2c(n1)nccc2
InChIKey SWKGPCNQBPGWNX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 458.1

Drug properties

Molecular type Small molecule
Endogenous/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 7.23 7.23 7.23 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.04 7.04 7.04 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.24 7.24 7.24 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.58 8.58 8.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database