dinaciclib

Ligand id: 7379

Name: dinaciclib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 92.63
Molecular weight 396.23
XLogP 2.01
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. Martin MP, Olesen SH, Georg GI, Schönbrunn E. (2013)
Cyclin-dependent kinase inhibitor dinaciclib interacts with the acetyl-lysine recognition site of bromodomains.
ACS Chem. Biol.8 (11): 2360-5. [PMID:24007471]
5. 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]
6. 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]
7. 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]