compound 21 [PMID: 22802221]


SMILES CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1cncc1)CC(C)C
InChIKey XTEOJPUYZWEXFI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 475.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT2 AGTR2 Human Angiotensin A pKi 9.4 9.4 9.4 Guide to Pharmacology
AT1 AGTR1 Pig Angiotensin A pKi 9.4 9.4 9.4 ChEMBL
AT2 AGTR2 Human Angiotensin A pKi 8.01 9.02 9.4 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 5.0 5.0 5.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT2 AGTR2 Human Angiotensin A pEC50 4.8 4.8 4.8 Guide to Pharmacology
AT2 AGTR2 Rat Angiotensin A pEC50 5.6 5.7 5.8 Guide to Pharmacology