evofosfamide

Ligand id: 8695

Name: evofosfamide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 121.13
Molecular weight 446.93
XLogP 1.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Borad MJ, Reddy SG, Bahary N, Uronis HE, Sigal D, Cohn AL, Schelman WR, Stephenson Jr J, Chiorean EG, Rosen PJ et al.. (2015)
Randomized Phase II Trial of Gemcitabine Plus TH-302 Versus Gemcitabine in Patients With Advanced Pancreatic Cancer.
J. Clin. Oncol.33 (13): 1475-81. [PMID:25512461]
2. Duan JX, Jiao H, Kaizerman J, Stanton T, Evans JW, Lan L, Lorente G, Banica M, Jung D, Wang J et al.. (2008)
Potent and highly selective hypoxia-activated achiral phosphoramidate mustards as anticancer drugs.
J. Med. Chem.51 (8): 2412-20. [PMID:18257544]
3. Hu J, Handisides DR, Van Valckenborgh E, De Raeve H, Menu E, Vande Broek I, Liu Q, Sun JD, Van Camp B, Hart CP et al.. (2010)
Targeting the multiple myeloma hypoxic niche with TH-302, a hypoxia-activated prodrug.
Blood116 (9): 1524-7. [PMID:20530289]
4. Sun JD, Liu Q, Wang J, Ahluwalia D, Ferraro D, Wang Y, Duan JX, Ammons WS, Curd JG, Matteucci MD et al.. (2012)
Selective tumor hypoxia targeting by hypoxia-activated prodrug TH-302 inhibits tumor growth in preclinical models of cancer.
Clin. Cancer Res.18 (3): 758-70. [PMID:22184053]
5. Weiss GJ, Infante JR, Chiorean EG, Borad MJ, Bendell JC, Molina JR, Tibes R, Ramanathan RK, Lewandowski K, Jones SF et al.. (2011)
Phase 1 study of the safety, tolerability, and pharmacokinetics of TH-302, a hypoxia-activated prodrug, in patients with advanced solid malignancies.
Clin. Cancer Res.17 (9): 2997-3004. [PMID:21415214]