compound 21 [PMID: 24900635]

Ligand id: 8187

Name: compound 21 [PMID: 24900635]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 95.83
Molecular weight 505.15
XLogP 6.95
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Galluzzi L, Kroemer G. (2011)
Necroptosis turns TNF lethal.
Immunity, 35 (6): 849-51. [PMID:22195740]
2. Harris PA, Bandyopadhyay D, Berger SB, Campobasso N, Capriotti CA, Cox JA, Dare L, Finger JN, Hoffman SJ, Kahler KM et al.. (2013)
Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis.
ACS Med Chem Lett, 4 (12): 1238-43. [PMID:24900635]
3. Linkermann A, Bräsen JH, Himmerkus N, Liu S, Huber TB, Kunzendorf U, Krautwald S. (2012)
Rip1 (receptor-interacting protein kinase 1) mediates necroptosis and contributes to renal ischemia/reperfusion injury.
Kidney Int., 81 (8): 751-61. [PMID:22237751]
4. Pasparakis M, Vandenabeele P. (2015)
Necroptosis and its role in inflammation.
Nature, 517 (7534): 311-20. [PMID:25592536]
5. Rosenbaum DM, Degterev A, David J, Rosenbaum PS, Roth S, Grotta JC, Cuny GD, Yuan J, Savitz SI. (2010)
Necroptosis, a novel form of caspase-independent cell death, contributes to neuronal damage in a retinal ischemia-reperfusion injury model.
J. Neurosci. Res., 88 (7): 1569-76. [PMID:20025059]
6. Smith CC, Davidson SM, Lim SY, Simpkin JC, Hothersall JS, Yellon DM. (2007)
Necrostatin: a potentially novel cardioprotective agent?.
Cardiovasc Drugs Ther, 21 (4): 227-33. [PMID:17665295]
7. Trichonas G, Murakami Y, Thanos A, Morizane Y, Kayama M, Debouck CM, Hisatomi T, Miller JW, Vavvas DG. (2010)
Receptor interacting protein kinases mediate retinal detachment-induced photoreceptor necrosis and compensate for inhibition of apoptosis.
Proc. Natl. Acad. Sci. U.S.A., 107 (50): 21695-700. [PMID:21098270]
8. Xu X, Chua KW, Chua CC, Liu CF, Hamdy RC, Chua BH. (2010)
Synergistic protective effects of humanin and necrostatin-1 on hypoxia and ischemia/reperfusion injury.
Brain Res., 1355: 189-94. [PMID:20682300]