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

General Information of Drug (ID: DM4KQUS)

Drug Name

Ac-Asp-Glu-Val-Asp-CHO Drug Info

Synonyms

ICE INHIBITOR; AC1L1HX4; SCHEMBL13194679; AL010; AKOS015916330; AN-30897; N-Acetyl-Asp-Glu-Val-Asp-al, > =95%, powder; I14-51535; 4-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]-5-[[1-[(4-hydroxy-1,4-dioxobutan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid; 4-(3-carboxy-2-acetamidopropanamido)-4-({1-[(1-carboxy-3-oxopropan-2-yl)carbamoyl]-2-methylpropyl}carbamoyl)butanoic acid

Indication

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

Cross-matching ID

PubChem CID: 4330
TTD Drug ID: DM4KQUS

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Clinical Trial Drug(s)

Investigative Drug(s)

Download the Complete Related Drug List

Drug(s) Targeting Caspase-3 (CASP3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PAC1	DMYQUIP	Anaplastic astrocytoma	2A00.0	Phase 1	[2]
M826	DM9NPE4	Discovery agent	N.A.	Investigative	[3]
Isoquinoline-1,3,4(2H)-trione	DMT4RI2	Discovery agent	N.A.	Investigative	[4]
Glionitrin A	DM98CSW	Solid tumour/cancer	2A00-2F9Z	Investigative	[5]
Ac-DEVD-CHO	DMW02H7	Discovery agent	N.A.	Investigative	[6]
5-(piperidin-1-ylsulfonyl)indoline-2,3-dione	DMT60AM	Discovery agent	N.A.	Investigative	[7]
SJ-8002	DMEQBU2	Solid tumour/cancer	2A00-2F9Z	Investigative	[8]
AZ10417808	DMNO6PL	Discovery agent	N.A.	Investigative	[9]
2-phenethylisoquinoline-1,3,4-trione	DMPWG21	Discovery agent	N.A.	Investigative	[4]
2-benzylisoquinoline-1,3,4-trione	DME7SAV	Discovery agent	N.A.	Investigative	[4]
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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
Caspase-3 (CASP3)	TTPF2QI	CASP3_HUMAN	Inhibitor	[1]

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References

1	Design and synthesis of a potent and selective peptidomimetic inhibitor of caspase-3. J Med Chem. 2004 Dec 16;47(26):6455-8.
2	Small-molecule activation of procaspase-3 to caspase-3 as a personalized anticancer strategy. Nat Chem Biol. 2006 Oct;2(10):543-50.
3	Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors. Bioorg Med Chem Lett. 2005 Feb 15;15(4):1173-80.
4	Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors. J Med Chem. 2006 Mar 9;49(5):1613-23.
5	Glionitrin A, a new diketopiperazine disulfide, activates ATM-ATR-Chk1/2 via 53BP1 phosphorylation in DU145 cells and shows antitumor effect in xenograft model. Biol Pharm Bull. 2014;37(3):378-86.
6	Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study. Eur J Med Chem. 2010 Sep;45(9):3858-63.
7	Design, synthesis, and discovery of novel non-peptide inhibitor of Caspase-3 using ligand based and structure based virtual screening approach. Bioorg Med Chem. 2009 Aug 15;17(16):6040-7.
8	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: 1619).
9	Novel small molecule inhibitors of caspase-3 block cellular and biochemical features of apoptosis. J Pharmacol Exp Ther. 2003 Jan;304(1):433-40.