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

General Information of Drug (ID: DME7SAV)

Drug Name

2-benzylisoquinoline-1,3,4-trione Drug Info

Synonyms

21640-35-7; 2-benzylisoquinoline-1,3,4-trione; 2-BENZYL-ISOQUINOLINE-1,3,4-TRIONE; CHEMBL382859; SCHEMBL13442853; Isoquinoline-1,3,4-trione 2c; BDBM10250; CTK4E7388; DTXSID80463477; ZINC13683129; AKOS015966149; FCH2821819; ACM21640357; 2-Benzylisoquinoline-1,3,4(2H)-trione; 2-Benzylisoquinoline-1,3,4(2H,4H)-trione; 1,3,4(2H)-Isoquinolinetrione,2-(phenylmethyl)-

Indication

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

Cross-matching ID

PubChem CID: 11357566
CAS Number: CAS 21640-35-7
TTD Drug ID: DME7SAV

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Clinical Trial Drug(s)

Investigative Drug(s)

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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	[2]
M826	DM9NPE4	Discovery agent	N.A.	Investigative	[3]
Isoquinoline-1,3,4(2H)-trione	DMT4RI2	Discovery agent	N.A.	Investigative	[1]
Glionitrin A	DM98CSW	Solid tumour/cancer	2A00-2F9Z	Investigative	[4]
Ac-DEVD-CHO	DMW02H7	Discovery agent	N.A.	Investigative	[5]
5-(piperidin-1-ylsulfonyl)indoline-2,3-dione	DMT60AM	Discovery agent	N.A.	Investigative	[6]
SJ-8002	DMEQBU2	Solid tumour/cancer	2A00-2F9Z	Investigative	[7]
AZ10417808	DMNO6PL	Discovery agent	N.A.	Investigative	[8]
2-phenethylisoquinoline-1,3,4-trione	DMPWG21	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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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, 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	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	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.
5	Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study. Eur J Med Chem. 2010 Sep;45(9):3858-63.
6	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.
7	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).
8	Novel small molecule inhibitors of caspase-3 block cellular and biochemical features of apoptosis. J Pharmacol Exp Ther. 2003 Jan;304(1):433-40.