ARQ-092

Ligand id: 9429

Name: ARQ-092

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 95.64
Molecular weight 432.21
XLogP 6.62
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Lapierre JM, Eathiraj S, Vensel D, Liu Y, Bull CO, Cornell-Kennon S, Iimura S, Kelleher EW, Kizer DE, Koerner S et al.. (2016)
Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.
J. Med. Chem.59 (13): 6455-69. [PMID:27305487]
2. Lindhurst MJ, Yourick MR, Yu Y, Savage RE, Ferrari D, Biesecker LG. (2015)
Repression of AKT signaling by ARQ 092 in cells and tissues from patients with Proteus syndrome.
Sci Rep5: 17162. [PMID:26657992]
3. Yu Y, Savage RE, Eathiraj S, Meade J, Wick MJ, Hall T, Abbadessa G, Schwartz B. (2015)
Targeting AKT1-E17K and the PI3K/AKT Pathway with an Allosteric AKT Inhibitor, ARQ 092.
PLoS ONE10 (10): e0140479. [PMID:26469692]