HEDD

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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.

CHR-3996

Category:	HDACi
Cas Number:	N.A.
Molecular Formula:	C₂₀H₁₉FN₆O₂
Molecular Weight:	394.402263 g/mol
Smiles:	C1C2C(C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1C5=NC=C(C=N5)C(=O)NO
Description:	CHR-3996 is a class I selective orally active histone deacetylase (HDAC) inhibitor with an IC50 of 8 nM. The Ki of CHR-3996 is 4.8 nM against HDAC. CHR-3996 shows excellent potency against the class I isoforms, HDAC1, HDAC2, and HDAC3, and good selectivity over HDAC5 and HDAC6 which are members of the class II family.
synonyms:	CHR-3996 CHEMBL1801250 CHR3996 GTPL8391 BDBM50347385 compound 21r [PMID 21080647] 2-[(1R,5S,6R)-6-{[(6-fluoroquinolin-2-yl)methyl]amino}-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
Structure:
3D Conformer:	3D View
Downlaod:	Structure File Download (8.0KB)

Target list

Id	Drug Name	Target	PubmedId	Co-crystal Complex
1418	CHR-3996	Cytochrome P450 3A (Homo sapiens (human))	21080647
1419	CHR-3996	Cytochrome P450 2D6 (Homo sapiens (human))	21080647
1420	CHR-3996	Cytochrome P450 2C19 (Homo sapiens (human))	21080647
1421	CHR-3996	Histone deacetylase 5 (HDAC5) (Homo sapiens (Human))	21080647
1422	CHR-3996	Histone deacetylase 3 (Homo sapiens (human))	21080647
1423	CHR-3996	Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (human))	21080647
1424	CHR-3996	Histone deacetylase 1 (HDAC1) (Homo sapiens (human))	21080647
1425	CHR-3996	Histone deacetylase (Homo sapiens (human))	21080647

Disease list

Conditions	Drug Name	Status	Nct Number	Phases
Solid tumor	CHR-3996	Completed	NCT00697879	Phase 1
Myeloma	CHR-3996			Preclinical study

High-throughoutput Dataset

Title	Drug Name	Category	Sample type	PMID
HDAC and aminopeptidase inhibitor treatment of myeloma cells	CHR-3996	HDACi	H929 human myeloma cells

Complex list

PDBId

Drug Name

Target

method

PubmedId

About

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.