Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMCFTB8)

Drug Name

Heptane-2,3-dione Drug Info

Synonyms

2,3-HEPTANEDIONE; 96-04-8; Acetyl valeryl; Heptane-2,3-dione; Valerylacetyl; Acetylvaleryl; Acetyl pentanoyl; UNII-DK55DDE86P; DK55DDE86P; Benzil-related compound, 47; CHEBI:88623; MFCD00036550; FR-2294; Heptanedione; FEMA No. 2543; 2,3-Dioxoheptane; EINECS 202-472-5; 2,3-heptane dione; NSC 31668; 2,3 - Heptanedione; AC1L1UAC; SCHEMBL109416; ACMC-20978p; CHEMBL364588; DTXSID4059128; KS-00000YJN; FEMA 2543; CTK0C6666; BDBM22769; MolPort-002-501-994; FJPGAMCQJNLTJC-UHFFFAOYSA-N; NSC31668; ZINC1663926; 2,3-Heptanedione, >=97%, FG

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 60983
ChEBI ID: CHEBI:88623
CAS Number: CAS 96-04-8
TTD Drug ID: DMCFTB8

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Discontinued Drug(s)

Download the Complete Related Drug List

Drug(s) Targeting Liver carboxylesterase (CES1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cholic Acid	DM7OKQV	Cholelithiasis	DC11	Approved	[2]
PACTIMIBE	DM0NZDT	Arteriosclerosis	BD40	Phase 2/3	[3]
K-604	DMQVN6P	Arteriosclerosis	BD40	Phase 2	[4]
Eldacimibe	DML7WP0	Hyperlipidaemia	5C80	Phase 2	[5]
GR148672X	DM7W6YN	Acute lymphoblastic leukaemia	2A85	Clinical trial	[6]
Avasimibe	DMFG4OM	Peripheral vascular disease	BD4Z	Discontinued in Phase 3	[7]
E-5324	DM562BM	Hyperlipidaemia	5C80	Discontinued in Phase 2	[8]
RP-64477	DMTQ3BS	Hyperlipidaemia	5C80	Discontinued in Phase 2	[9]
CI-976	DMBO28J	Hyperlipidaemia	5C80	Discontinued in Phase 2	[10]
CL-283796	DM7LIDT	Hyperlipidaemia	5C80	Discontinued in Phase 2	[11]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Liver carboxylesterase (CES1)	TTMF541	EST1_HUMAN	Inhibitor	[1]

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References

1	Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. J Med Chem. 2005 Apr 21;48(8):2906-15.
2	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
3	Novel indoline-based acyl-CoA:cholesterol acyltransferase inhibitor with antiperoxidative activity: improvement of physicochemical properties and b... J Med Chem. 2008 Aug 14;51(15):4823-33.
4	A selective ACAT-1 inhibitor, K-604, suppresses fatty streak lesions in fat-fed hamsters without affecting plasma cholesterol levels. Atherosclerosis. 2007 Apr;191(2):290-7.
5	Prospects for drug therapy for hyperlipoproteinaemia. Diabete Metab. 1995 Apr;21(2):139-46.
6	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2592).
7	New advances in lipid-modifying therapies for reducing cardiovascular risk. Cardiology. 2002;97(2):59-66.
8	Effect of the acyl-CoA:cholesterol acyltransferase inhibitor, E5324, on experimental atherosclerosis in rabbits. Atherosclerosis. 1994 Jun;107(2):187-201.
9	RP 64477: a potent inhibitor of acyl-coenzyme A:cholesterol O-acyltransferase with low systemic bioavailability. Biochem Pharmacol. 1996 Feb 23;51(4):413-21.
10	Acyl-coenzyme A:cholesterol-acyltransferase (ACAT) inhibitors modulate monocyte adhesion to aortic endothelial cells. Atherosclerosis. 1995 Jan 6;112(1):7-17.
11	ACAT inhibitors CL 283,546 and CL 283,796 reduce LDL cholesterol without affecting cholesterol absorption in African green monkeys. J Lipid Res. 1995 Jun;36(6):1199-210.