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The Human Epigenetic Drug Database (HEDD) is a comprehensive web-based database for epigenetic drugs, which focuses on the storage and integration of epigenetic drug datasets that were obtained from laboratory experiments that is essential for understanding the mechanism of action of these epigenetic drugs at a systematic level.

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mocetinostat

Category:HDACi
Cas Number:726169-73-9
Molecular Formula:C23H20N6O
Molecular Weight:396.4445 g/mol
Smiles:C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC=CC(=N3)
C4=CN=CC=C4
Description:Mocetinostat is a rationally designed, orally available, Class 1-selective, small molecule, 2-aminobenzamide HDAC inhibitor with potential antineoplastic activity. Mocetinostat binds to and inhibits Class 1 isoforms of HDAC, specifically HDAC 1, 2 and 3, which may result in epigenetic changes in tumor cells and so tumor cell death; although the exact mechanism has yet to be defined, tumor cell death may occur through the induction of apoptosis, differentiation, cell cycle arrest, inhibition of DNA repair, upregulation of tumor suppressors, down regulation of growth factors, oxidative stress, and autophagy, among others. Overexpression of Class I HDACs 1, 2 and 3 has been found in many tumors and has been correlated with a poor prognosis.
synonyms:
Structure:
3D Conformer:3D View
Downlaod:Structure File Download (8.0KB)

Target list

IdDrug NameTargetPubmedIdCo-crystal Complex
966 mocetinostatHistone Deacetylase 4 (HDAC4) Mutant (H976Y) (Homo sapiens (human))18308563
967 mocetinostatHistone deacetylase 3 (Homo sapiens (human))25805446
968 mocetinostatHistone deacetylase (HDAC1 and HDAC2) (Homo sapiens (human))18570366
969 mocetinostatHistone deacetylase 3 (Homo sapiens (human))18570366
970 mocetinostatHistone deacetylase (Homo sapiens (human))18570366
971 mocetinostatHistone deacetylase 4 (HDAC4) (Homo sapiens (Human))18570366
972 mocetinostatHistone deacetylase (Homo sapiens (human))18570366
973 mocetinostatHistone deacetylase 4 (HDAC4) (Homo sapiens (Human))18308563
974 mocetinostatHistone deacetylase 1 (HDAC1) (Homo sapiens (human))18308563
975 mocetinostatHistone deacetylase 8 (Homo sapiens (human))18570366
976 mocetinostatHistone Deacetylase 5 (HDAC5) (Homo sapiens (Human))18570366
977 mocetinostatHistone deacetylase (Homo sapiens (human))18570366
978 mocetinostatHistone deacetylase 3 (Homo sapiens (human))18308563
979 mocetinostatHistone deacetylase (Homo sapiens (human))18308563
980 mocetinostatHistone deacetylase 1 (HDAC1) (Homo sapiens (human))19114304
981 mocetinostatHistone deacetylase (Homo sapiens (human))19114304
982 mocetinostatHistone deacetylase (Homo sapiens (human))19114304
983 mocetinostatHistone deacetylase 8 (Homo sapiens (human))19114304
984 mocetinostatHistone deacetylase (HDAC1 and HDAC2) (Homo sapiens (human))19114304
985 mocetinostatHistone deacetylase 3 (Homo sapiens (human))19114304
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Disease list

ConditionsDrug NameStatusNct NumberPhases
healthymocetinostat
JQ1
Preclinical study
healthyMocetinostatPreclinical study

High-throughoutput Dataset

TitleDrug NameCategorySample typePMID
Induction of USP17 by combining BET and HDAC inhibitors in breast cancer cells mocetinostat
JQ1
HDACi
PHAi
human MDA-MB-231 cells 26378038
Expression data of neural progenitor cells differentiation from human embryonic stem cells MocetinostatHDACihuman embryonic stem cells (hESCs)25406762

Complex list

PDBIdDrug NameTargetmethodPubmedId

About

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The Human Epigenetic Drug Database (HEDD) is a comprehensive web-based database for epigenetic drugs, which focuses on integrating epigenetic drug studies based Omics data from high through experiments that is essential for understanding the mechanism of action of these epigenetic drugs at a systematic level.

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©2016 Group of Computational Epigenomics and Bioinformatics, College of Life Science, Jilin Normal University, China

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