compound 8g [PMID: 21444206]


SMILES O=C(N1CCC(CC1)Sc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C
InChIKey KRCCTTRJUJRZKA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 507.1

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
α1A ADA1A Human Adrenoceptors A pKi 6.52 6.52 6.52 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.35 6.35 6.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database