compound 3j [PMID: 21444206]


SMILES O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C
InChIKey FEAQKOJMPVAIBR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 491.2

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 7.27 7.27 7.27 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.18 8.18 8.18 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.17 8.17 8.17 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.05 9.05 9.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database