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

General Information of Drug (ID: DMT4RI2)

Drug Name

Isoquinoline-1,3,4(2H)-trione Drug Info

Synonyms

Phthalonimide; 1,3,4(2H)-Isoquinolinetrione; isoquinoline-1,3,4(2H)-trione; 521-73-3; isoquinoline-1,3,4-trione; 1,3,4-(2H)ISOQUINOLINETRIONE; UNII-BM68CV5X6Q; NSC 407248; BRN 0383773; BM68CV5X6Q; 1,2,3,4-tetrahydroisoquinoline-1,3,4-trione; isoquinoline-1,3,4-(2H)-trione; 3deh; NSC407248; AC1L1VMV; 5-21-11-00575 (Beilstein Handbook Reference); 1,4(2H)-Isoquinolinetrione; SCHEMBL1122624; Isoquinoline-1,3,4-trione 1; CHEMBL206435; CTK1H0848; BDBM10247; DTXSID40200103; ZINC1599708; FCH844329; ACM521733; AKOS006276226; NSC-407248

Indication

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

Cross-matching ID

PubChem CID: 10640
CAS Number: CAS 521-73-3
TTD Drug ID: DMT4RI2

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Investigative Drug(s)

Clinical Trial Drug(s)

Preclinical Drug(s)

Discontinued Drug(s)

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Drug(s) Targeting Caspase 6 messenger RNA (CASP6 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ISIS 134602	DMDS4BP	Discovery agent	N.A.	Investigative	[2]
ISIS 134583	DM0HWRN	Discovery agent	N.A.	Investigative	[2]
ISIS 134566	DMCM2S4	Discovery agent	N.A.	Investigative	[2]
ISIS 134524	DMFCOA5	Discovery agent	N.A.	Investigative	[2]
ISIS 134532	DMRFMVL	Discovery agent	N.A.	Investigative	[2]
Ac-VEID-CHO	DMWOYCZ	Discovery agent	N.A.	Investigative	[3]
ISIS 134609	DMYODMN	Discovery agent	N.A.	Investigative	[2]
ISIS 134608	DMVX9IT	Discovery agent	N.A.	Investigative	[2]
ISIS 134499	DM90TOR	Discovery agent	N.A.	Investigative	[2]
ISIS 134528	DMYZNIW	Discovery agent	N.A.	Investigative	[2]
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Drug(s) Targeting Caspase 8 messenger RNA (CASP8 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetyl-Ile-Glu-Thr-Asp-aldehyde	DM1VE6S	Discovery agent	N.A.	Investigative	[3]
ISIS 107612	DMBWCZR	Discovery agent	N.A.	Investigative	[4]
ISIS 107676	DMUE64H	Discovery agent	N.A.	Investigative	[4]
ISIS 107681	DMB9VFS	Discovery agent	N.A.	Investigative	[4]
ISIS 107652	DMOX8JF	Discovery agent	N.A.	Investigative	[4]
ISIS 107642	DMPR7OD	Discovery agent	N.A.	Investigative	[4]
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Drug(s) Targeting Caspase-3 (CASP3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PAC1	DMYQUIP	Anaplastic astrocytoma	2A00.0	Phase 1	[5]
M826	DM9NPE4	Discovery agent	N.A.	Investigative	[6]
Glionitrin A	DM98CSW	Solid tumour/cancer	2A00-2F9Z	Investigative	[7]
Ac-DEVD-CHO	DMW02H7	Discovery agent	N.A.	Investigative	[8]
5-(piperidin-1-ylsulfonyl)indoline-2,3-dione	DMT60AM	Discovery agent	N.A.	Investigative	[9]
SJ-8002	DMEQBU2	Solid tumour/cancer	2A00-2F9Z	Investigative	[10]
AZ10417808	DMNO6PL	Discovery agent	N.A.	Investigative	[11]
2-phenethylisoquinoline-1,3,4-trione	DMPWG21	Discovery agent	N.A.	Investigative	[1]
2-benzylisoquinoline-1,3,4-trione	DME7SAV	Discovery agent	N.A.	Investigative	[1]
2-(4-methoxy-benzyl)isoquinoline-1,3,4-trione	DMHAE31	Discovery agent	N.A.	Investigative	[1]
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Drug(s) Targeting Caspase (CASP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
NCX-1000	DM2YIZH	Cardiovascular disease	BA00-BE2Z	Phase 2	[12]
Z-VAD-fmk	DMTDG7L	Pulmonary fibrosis	CB03.4	Preclinical	[13]
VX-166	DMZKY56	Hepatic fibrosis	DB93.0	Preclinical	[14]
ALS-769	DMGBT9Z	Solid tumour/cancer	2A00-2F9Z	Terminated	[15]
Ac-DEVD-CHO	DMW02H7	Discovery agent	N.A.	Investigative	[8]
2-aminophenoxazine-3-one	DMBVGAO	T-cell leukaemia	2A90	Investigative	[16]
IDN-1965	DMRQSN2	Discovery agent	N.A.	Investigative	[17]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Caspase (CASP)	TTZY5KP	NOUNIPROTAC	Inhibitor	[1]
Caspase 6 messenger RNA (CASP6 mRNA)	TTKW4ML	CASP6_HUMAN	Inhibitor	[1]
Caspase 8 messenger RNA (CASP8 mRNA)	TT6SZNG	CASP8_HUMAN	Inhibitor	[1]
Caspase-3 (CASP3)	TTPF2QI	CASP3_HUMAN	Inhibitor	[1]

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References

1	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.
2	US patent application no. 6,566,135, Antisense modulation of caspase 6 expression.
3	Synthesis and in vitro evaluation of sulfonamide isatin Michael acceptors as small molecule inhibitors of caspase-6. J Med Chem. 2009 Apr 23;52(8):2188-91.
4	US patent application no. 6,258,600, Antisense modulation of caspase 8 expression.
5	Small-molecule activation of procaspase-3 to caspase-3 as a personalized anticancer strategy. Nat Chem Biol. 2006 Oct;2(10):543-50.
6	Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors. Bioorg Med Chem Lett. 2005 Feb 15;15(4):1173-80.
7	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.
8	Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study. Eur J Med Chem. 2010 Sep;45(9):3858-63.
9	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.
10	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).
11	Novel small molecule inhibitors of caspase-3 block cellular and biochemical features of apoptosis. J Pharmacol Exp Ther. 2003 Jan;304(1):433-40.
12	Liver delivery of NO by NCX-1000 protects against acute liver failure and mitochondrial dysfunction induced by APAP in mice. Br J Pharmacol. 2004 Sep;143(1):33-42.
13	Clinical pipeline report, company report or official report of InvivoGen.
14	VX-166: a novel potent small molecule caspase inhibitor as a potential therapy for sepsis. Crit Care. 2009;13(5):R146.
15	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800025089)
16	Apoptosis as a mechanism for the treatment of adult T cell leukemia: promising drugs from benchside to bedside. Drug Discov Today. 2020 Jul;25(7):1189-1197.
17	Inhibition of cardiac myocyte apoptosis improves cardiac function and abolishes mortality in the peripartum cardiomyopathy of Galpha(q) transgenic ... Circulation. 2003 Dec 16;108(24):3036-41.