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

General Information of Drug (ID: DMA1RVN)

• Drug Name: Ac-YVAD-cmk Drug Info

Indication

Disease Entry	ICD 11	Status	REF
Allergic contact dermatitis	EK00	Patented	[1]
Irritant contact dermatitis	EK02	Patented	[1]
Photocontact dermatitis	EK20	Patented	[1]

• Cross-matching ID:
  PubChem CID: 9915279
  TTD Drug ID: DMA1RVN

Molecule-Related Drug Atlas

Drug(s) Targeting Caspase-1 (CASP1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
AC-201	DMB0TNL	Type-2 diabetes	5A11	Phase 2	[3]
Belnacasan	DM2Q50G	Epilepsy	8A60-8A68	Phase 2	[4]
PRALNACASAN	DM73UTG	Rheumatoid arthritis	FA20	Phase 2	[5]
Nivocasan	DMUX8JZ	Fibrosis	GA14-GC01	Phase 2	[6]
Ac-YVAD-FMK	DM7K256	Allergic contact dermatitis	EK00	Patented	[1]
VE-16084	DMHG70W	Rheumatoid arthritis	FA20	Terminated	[7]
L-709049	DMQZW6D	N. A.	N. A.	Terminated	[8]
SDZ-224-015	DMY1KE8	Rheumatoid arthritis	FA20	Terminated	[9]
M826	DM9NPE4	Discovery agent	N.A.	Investigative	[10]
YVAD	DM24LNB	Discovery agent	N.A.	Investigative	[11]

Drug(s) Affected By Interleukin-1 beta (IL1B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[12]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[13]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[14]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[15]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[16]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[15]
Imiquimod	DM1TMA3	Alopecia areata	ED70.2	Approved	[17]
Selenium	DM25CGV	N. A.	N. A.	Approved	[18]
Ribavirin	DMEYLH9	Hepatitis C virus infection	1E51.1	Approved	[19]
Spironolactone	DM2AQ5N	Chronic heart failure	BD1Z	Approved	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Caspase-1 (CASP1)	TTCQIBE	CASP1_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Interleukin-1 beta (IL1B)	OT0DWXXB	IL1B_HUMAN	Protein Interaction/Cellular Processes	[2]

References

• [1] Caspase inhibitors: a review of recently patented compounds (2013-2015).Expert Opin Ther Pat. 2018 Jan;28(1):47-59.
• [2] Tetrabromobisphenol A and hexabromocyclododecane alter secretion of IL-1 from human immune cells. J Immunotoxicol. 2016 May;13(3):403-16. doi: 10.3109/1547691X.2015.1111960. Epub 2015 Nov 19.
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [4] (S)-1-((S)-2-{[1-(4-amino-3-chloro-phenyl)-methanoyl]-amino}-3,3-dimethyl-butanoyl)-pyrrolidine-2-carboxylic acid ((2R,3S)-2-ethoxy-5-oxo-tetrahydr... J Pharmacol Exp Ther. 2007 May;321(2):509-16.
• [5] Pralnacasan, an inhibitor of interleukin-1beta converting enzyme, reduces joint damage in two murine models of osteoarthritis. Osteoarthritis Cartilage. 2003 Oct;11(10):738-46.
• [6] Combined effects of an antioxidant and caspase inhibitor on the reversal of hepatic fibrosis in rats. Apoptosis. 2013 Dec;18(12):1481-91.
• [7] Interleukin-1 beta converting enzyme inhibition blocks progression of type II collagen-induced arthritis in mice. Cytokine. 1996 May;8(5):377-86.
• [8] Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1). Bioorg Med Chem Lett. 2010 Sep 1;20(17):5184-90.
• [9] Reduction of inflammation and pyrexia in the rat by oral administration of SDZ 224-015, an inhibitor of the interleukin-1 beta converting enzyme. Br J Pharmacol. 1995 Jun;115(4):601-6.
• [10] Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors. Bioorg Med Chem Lett. 2005 Feb 15;15(4):1173-80.
• [11] Mice deficient in interleukin-1beta converting enzyme resist anorexia induced by central lipopolysaccharide. Am J Physiol. 1999 Nov;277(5 Pt 2):R1435-43.
• [12] Cannabidiol Modulates the Immunophenotype and Inhibits the Activation of the Inflammasome in Human Gingival Mesenchymal Stem Cells. Front Physiol. 2016 Nov 24;7:559. doi: 10.3389/fphys.2016.00559. eCollection 2016.
• [13] ERE-independent ERalpha target genes differentially expressed in human breast tumors. Mol Cell Endocrinol. 2005 Dec 21;245(1-2):53-9. doi: 10.1016/j.mce.2005.10.003. Epub 2005 Nov 17.
• [14] Reactive metabolite of gefitinib activates inflammasomes: implications for gefitinib-induced idiosyncratic reaction. J Toxicol Sci. 2020;45(11):673-680. doi: 10.2131/jts.45.673.
• [15] An in vitro coculture system of human peripheral blood mononuclear cells with hepatocellular carcinoma-derived cells for predicting drug-induced liver injury. Arch Toxicol. 2021 Jan;95(1):149-168. doi: 10.1007/s00204-020-02882-4. Epub 2020 Aug 20.
• [16] Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
• [17] (9)-Tetrahydrocannabinol Suppresses Monocyte-Mediated Astrocyte Production of Monocyte Chemoattractant Protein 1 and Interleukin-6 in a Toll-Like Receptor 7-Stimulated Human Coculture. J Pharmacol Exp Ther. 2019 Oct;371(1):191-201. doi: 10.1124/jpet.119.260661. Epub 2019 Aug 5.
• [18] Changes in gene expression profiles in response to selenium supplementation among individuals with arsenic-induced pre-malignant skin lesions. Toxicol Lett. 2007 Mar 8;169(2):162-76. doi: 10.1016/j.toxlet.2007.01.006. Epub 2007 Jan 19.
• [19] Profiling the immunotoxicity of chemicals based on in vitro evaluation by a combination of the Multi-ImmunoTox assay and the IL-8 Luc assay. Arch Toxicol. 2018 Jun;92(6):2043-2054. doi: 10.1007/s00204-018-2199-7. Epub 2018 Mar 29.
• [20] Spironolactone induces apoptosis in human mononuclear cells. Association between apoptosis and cytokine suppression. Apoptosis. 2006 Apr;11(4):573-9. doi: 10.1007/s10495-006-4919-3.