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

General Information of Drug (ID: DM6J2UZ)

• Drug Name: MCC950 Drug Info
• Synonyms: MCC950; 210826-40-7; MCC-950; CP-456773; CHEMBL3183703; N-[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]carbonyl]-4-(1-hydroxy-1-methylethyl)-2-furansulfonamide; MCC 950; DSSTox_RID_82252; DSSTox_CID_27301; DSSTox_GSID_47301; SCHEMBL6521858; GTPL8228; DTXSID2047301; MolPort-042-579-517; EX-A1052; BCP15729; Tox21_300462; BDBM50155926; ZINC34025113; AKOS030238802; SB19010; NCGC00254269-01; NCGC00248064-01; HY-12815; CAS-210826-40-7; 1-[4-(1-Hydroxy-1-methylethyl)-2-furylsulfonyl]-3-[(1,2,3,5,6,7-hexahydro-s-indacene)-4-yl]urea

Indication

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

• Cross-matching ID:
  PubChem CID: 9910393
  CAS Number: CAS 210826-40-7
  TTD Drug ID: DM6J2UZ

Molecule-Related Drug Atlas

Drug(s) Targeting Caterpiller protein 1.1 (NLRP3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dapansutrile	DM7IH48	Acute gout flare	FA25.0	Phase 2	[3]
BMS-986299	DMTMUWJ	Solid tumour/cancer	2A00-2F9Z	Phase 1	[4]
Selnoflast	DM4NKNK	Inflammation	1A00-CA43.1	Phase 1	[5]

Drug(s) Affected By Neuronal acetylcholine receptor subunit alpha-5 (CHRNA5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[6]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[7]
Demecolcine	DMCZQGK	Solid tumour/cancer	2A00-2F9Z	Approved	[8]
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[9]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[10]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[11]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[12]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[13]
Vorinostat	DMWMPD4	Adult acute monocytic leukemia		Approved	[14]
Cocaine	DMSOX7I	Anaesthesia	9A78.6	Approved	[15]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Caterpiller protein 1.1 (NLRP3)	TT4EN8X	NLRP3_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Neuronal acetylcholine receptor subunit alpha-5 (CHRNA5)	OTGIL2YD	ACHA5_HUMAN	Gene/Protein Processing	[2]

References

• [1] A small-molecule inhibitor of the NLRP3 inflammasome for the treatment of inflammatory diseases. Nat Med. 2015 Mar;21(3):248-55.
• [2] The role of 5-nicotinic acetylcholine receptor/NLRP3 signaling pathway in lung adenocarcinoma cell proliferation and migration. Toxicology. 2022 Mar 15;469:153120. doi: 10.1016/j.tox.2022.153120. Epub 2022 Feb 4.
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [4] National Cancer Institute Drug Dictionary (drug name BMS-986299).
• [5] Clinical pipeline report, company report or official report of Roche
• [6] Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
• [7] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [8] Characterization of formaldehyde's genotoxic mode of action by gene expression analysis in TK6 cells. Arch Toxicol. 2013 Nov;87(11):1999-2012.
• [9] Low ethanol concentration alters CHRNA5 RNA levels during early human development. Reprod Toxicol. 2010 Nov;30(3):489-92. doi: 10.1016/j.reprotox.2010.04.011. Epub 2010 May 11.
• [10] Temozolomide induces activation of Wnt/-catenin signaling in glioma cells via PI3K/Akt pathway: implications in glioma therapy. Cell Biol Toxicol. 2020 Jun;36(3):273-278. doi: 10.1007/s10565-019-09502-7. Epub 2019 Nov 22.
• [11] Multiple microRNAs function as self-protective modules in acetaminophen-induced hepatotoxicity in humans. Arch Toxicol. 2018 Feb;92(2):845-858.
• [12] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
• [13] Progesterone modulation of alpha5 nAChR subunits influences anxiety-related behavior during estrus cycle. Genes Brain Behav. 2009 Jun;8(4):398-406. doi: 10.1111/j.1601-183X.2009.00476.x. Epub 2009 Feb 11.
• [14] Definition of transcriptome-based indices for quantitative characterization of chemically disturbed stem cell development: introduction of the STOP-Toxukn and STOP-Toxukk tests. Arch Toxicol. 2017 Feb;91(2):839-864.
• [15] A risk allele for nicotine dependence in CHRNA5 is a protective allele for cocaine dependence. Biol Psychiatry. 2008 Dec 1;64(11):922-9. doi: 10.1016/j.biopsych.2008.04.018. Epub 2008 Jun 2.