tacedinaline

Ligand id: 8367

Name: tacedinaline

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 84.22
Molecular weight 269.12
XLogP 1.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bradner JE, West N, Grachan ML, Greenberg EF, Haggarty SJ, Warnow T, Mazitschek R. (2010)
Chemical phylogenetics of histone deacetylases.
Nat. Chem. Biol., 6 (3): 238-243. [PMID:20139990]
2. Gediya LK, Belosay A, Khandelwal A, Purushottamachar P, Njar VC. (2008)
Improved synthesis of histone deacetylase inhibitors (HDIs) (MS-275 and CI-994) and inhibitory effects of HDIs alone or in combination with RAMBAs or retinoids on growth of human LNCaP prostate cancer cells and tumor xenografts.
Bioorg. Med. Chem., 16 (6): 3352-60. [PMID:18166465]
3. Liu L, Chen B, Qin S, Li S, He X, Qiu S, Zhao W, Zhao H. (2010)
A novel histone deacetylase inhibitor Chidamide induces apoptosis of human colon cancer cells.
Biochem. Biophys. Res. Commun., 392 (2): 190-5. [PMID:20060381]
4. Loprevite M, Tiseo M, Grossi F, Scolaro T, Semino C, Pandolfi A, Favoni R, Ardizzoni A. (2005)
In vitro study of CI-994, a histone deacetylase inhibitor, in non-small cell lung cancer cell lines.
Oncol. Res., 15 (1): 39-48. [PMID:15839304]
5. LoRusso PM, Demchik L, Foster B, Knight J, Bissery MC, Polin LM, Leopold 3rd WR, Corbett TH. (1996)
Preclinical antitumor activity of CI-994.
Invest New Drugs, 14 (4): 349-56. [PMID:9157069]
6. Methot JL, Chakravarty PK, Chenard M, Close J, Cruz JC, Dahlberg WK, Fleming J, Hamblett CL, Hamill JE, Harrington P et al.. (2008)
Exploration of the internal cavity of histone deacetylase (HDAC) with selective HDAC1/HDAC2 inhibitors (SHI-1:2).
Bioorg. Med. Chem. Lett., 18 (3): 973-8. [PMID:18182289]