abemaciclib

Ligand id: 7382

Name: abemaciclib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 75
Molecular weight 506.27
XLogP 4.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Beroukhim R, Mermel CH, Porter D, Wei G, Raychaudhuri S, Donovan J, Barretina J, Boehm JS, Dobson J, Urashima M et al.. (2010)
The landscape of somatic copy-number alteration across human cancers.
Nature463 (7283): 899-905. [PMID:20164920]
2. Choi YJ, Li X, Hydbring P, Sanda T, Stefano J, Christie AL, Signoretti S, Look AT, Kung AL, von Boehmer H et al.. (2012)
The requirement for cyclin D function in tumor maintenance.
Cancer Cell22 (4): 438-51. [PMID:23079655]
3. Dean JL, McClendon AK, Hickey TE, Butler LM, Tilley WD, Witkiewicz AK, Knudsen ES. (2012)
Therapeutic response to CDK4/6 inhibition in breast cancer defined by ex vivo analyses of human tumors.
Cell Cycle11 (14): 2756-61. [PMID:22767154]
4. Gelbert LM, Cai S, Lin X, Sanchez-Martinez C, Del Prado M, Lallena MJ, Torres R, Ajamie RT, Wishart GN, Flack RS et al.. (2014)
Preclinical characterization of the CDK4/6 inhibitor LY2835219: in-vivo cell cycle-dependent/independent anti-tumor activities alone/in combination with gemcitabine.
Invest New Drugs,  [Epub ahead of print]. [PMID:24919854]
5. Goel S, Wang Q, Watt AC, Tolaney SM, Dillon DA, Li W, Ramm S, Palmer AC, Yuzugullu H, Varadan V et al.. (2016)
Overcoming Therapeutic Resistance in HER2-Positive Breast Cancers with CDK4/6 Inhibitors.
Cancer Cell29 (3): 255-69. [PMID:26977878]
6. Patnaik A, Rosen LS, Tolaney SM, Tolcher AW, Goldman JW, Gandhi L, Papadopoulos KP, Beeram M, Rasco DW, Myrand SP et al.. (2014)
Clinical activity of LY2835219, a novel cell cycle inhibitor selective for CDK4 and CDK6, in patients with metastatic breast cancer.
CT232: AACR Annual Meeting 2014 April 5-9,  Meeting abstract.
7. Puyol M, Martín A, Dubus P, Mulero F, Pizcueta P, Khan G, Guerra C, Santamaría D, Barbacid M. (2010)
A synthetic lethal interaction between K-Ras oncogenes and Cdk4 unveils a therapeutic strategy for non-small cell lung carcinoma.
Cancer Cell18 (1): 63-73. [PMID:20609353]
8. Sawai CM, Freund J, Oh P, Ndiaye-Lobry D, Bretz JC, Strikoudis A, Genesca L, Trimarchi T, Kelliher MA, Clark M et al.. (2012)
Therapeutic targeting of the cyclin D3:CDK4/6 complex in T cell leukemia.
Cancer Cell22 (4): 452-65. [PMID:23079656]
9. Zhang XH, Cheng Y, Shin JY, Kim JO, Oh JE, Kang JH. (2013)
A CDK4/6 inhibitor enhances cytotoxicity of paclitaxel in lung adenocarcinoma cells harboring mutant KRAS as well as wild-type KRAS.
Cancer Biol. Ther.14 (7): 597-605. [PMID:23792647]