compound 21 [PMID: 22802221]

Ligand id: 6918

Name: compound 21 [PMID: 22802221]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 126.91
Molecular weight 475.16
XLogP 5.54
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Sampson AK, Irvine JC, Shihata WA, Dragoljevic D, Lumsden N, Huet O, Barnes T, Unger T, Steckelings UM, Jennings GL et al.. (2016)
Compound 21, a selective agonist of angiotensin AT2 receptors, prevents endothelial inflammation and leukocyte adhesion in vitro and in vivo.
Br. J. Pharmacol., 173 (4): 729-40. [PMID:25560767]
2. Verdonk K, Durik M, Abd-Alla N, Batenburg WW, van den Bogaerdt AJ, van Veghel R, Roks AJ, Danser AH, van Esch JH. (2012)
Compound 21 induces vasorelaxation via an endothelium- and angiotensin II type 2 receptor-independent mechanism.
Hypertension, 60 (3): 722-9. [PMID:22802221]