olaparib

Ligand id: 7519

Name: olaparib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 69.72
Molecular weight 434.18
XLogP 3.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
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Cooperation of breast cancer proteins PALB2 and piccolo BRCA2 in stimulating homologous recombination.
Nat. Struct. Mol. Biol.17 (10): 1247-54. [PMID:20871615]
2. Cook D, Brown D, Alexander R, March R, Morgan P, Satterthwaite G, Pangalos MN. (2014)
Lessons learned from the fate of AstraZeneca's drug pipeline: a five-dimensional framework.
Nat Rev Drug Discov13 (6): 419-31. [PMID:24833294]
3. Dillon KJ, Smith GC, Martin NM. (2003)
A FlashPlate assay for the identification of PARP-1 inhibitors.
J Biomol Screen8 (3): 347-52. [PMID:12857389]
4. Mateo J, Carreira S, Sandhu S, Miranda S, Mossop H, Perez-Lopez R, Nava Rodrigues D, Robinson D, Omlin A, Tunariu N et al.. (2015)
DNA-Repair Defects and Olaparib in Metastatic Prostate Cancer.
N. Engl. J. Med.373 (18): 1697-708. [PMID:26510020]
5. Menear KA, Adcock C, Boulter R, Cockcroft XL, Copsey L, Cranston A, Dillon KJ, Drzewiecki J, Garman S, Gomez S et al.. (2008)
4-[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin-1-one: a novel bioavailable inhibitor of poly(ADP-ribose) polymerase-1.
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6. Murai J, Huang SY, Das BB, Renaud A, Zhang Y, Doroshow JH, Ji J, Takeda S, Pommier Y. (2012)
Trapping of PARP1 and PARP2 by Clinical PARP Inhibitors.
Cancer Res.72 (21): 5588-99. [PMID:23118055]
7. Rottenberg S, Jaspers JE, Kersbergen A, van der Burg E, Nygren AO, Zander SA, Derksen PW, de Bruin M, Zevenhoven J, Lau A et al.. (2008)
High sensitivity of BRCA1-deficient mammary tumors to the PARP inhibitor AZD2281 alone and in combination with platinum drugs.
Proc. Natl. Acad. Sci. U.S.A.105 (44): 17079-84. [PMID:18971340]