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

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]