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

General Information of Drug (ID: DMFR7JW)

• Drug Name: 1-Methyloxy-4-Sulfone-Benzene Drug Info
• Synonyms: 1-METHYLOXY-4-SULFONE-BENZENE; 4-methoxybenzenesulfinate; AC1MZTZ7; SCHEMBL13838953; YVZWQPOTHRMEQW-UHFFFAOYSA-M; SBB082464; 1-(dioxidosulfanyl)-4-methoxybenzene; ZINC150339282; AKOS004898433; DB03033

Indication

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

• Cross-matching ID:
  PubChem CID: 3952261
  TTD Drug ID: DMFR7JW

Molecule-Related Drug Atlas

Drug(s) Targeting Matrix metalloproteinase-13 (MMP-13)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[2]
Apratastat	DM8W4N9	Rheumatoid arthritis	FA20	Phase 2	[3]
PMID17935984C1	DMO1IHL	Pain	MG30-MG3Z	Clinical trial	[4]
PMID29130358-Compound-Figure18(14a)	DMHIBTZ	N. A.	N. A.	Patented	[5]
PMID29130358-Compound-Figure16(9b)	DMPAQLZ	N. A.	N. A.	Patented	[5]
PMID29130358-Compound-Figure16(9a)	DMKX5R8	N. A.	N. A.	Patented	[5]
PMID29130358-Compound-Figure18(14)	DM7WXJ9	N. A.	N. A.	Patented	[5]
PMID29130358-Compound-Figure16(9c)	DM0ZRI9	N. A.	N. A.	Patented	[5]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[6]
RS-130830	DMOTANY	Hepatitis C virus infection	1E51.1	Discontinued in Phase 2	[7]

Drug(s) Targeting Matrix metalloproteinase-3 (MMP-3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID29130358-Compound-Figure10(2a)	DMFWXPS	N. A.	N. A.	Patented	[5]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[8]
RS-130830	DMOTANY	Hepatitis C virus infection	1E51.1	Discontinued in Phase 2	[7]
PG-530742	DMELXBQ	Myocardial infarction	BA41-BA43	Discontinued in Phase 2	[9]
Batimastat	DM92VRP	Idiopathic pulmonary fibrosis	CB03.4	Preclinical	[10]
SC-44463	DMBPNKT	N. A.	N. A.	Terminated	[11]
BB-1101	DM7GH5Z	Multiple sclerosis	8A40	Terminated	[12]
L-696418	DMV785R	N. A.	N. A.	Terminated	[13]
RO-319790	DML3NEU	Rheumatoid arthritis	FA20	Terminated	[14]
MMI270	DM38N2K	Discovery agent	N.A.	Investigative	[15]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-13 (MMP-13)	TTHY57M	MMP13_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-3 (MMP-3)	TTUZ2L5	MMP3_HUMAN	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate. Bioorg Med Chem. 2009 Feb 1;17(3):990-1005.
• [3] Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1605-9.
• [4] Potent, selective spiropyrrolidine pyrimidinetrione inhibitors of MMP-13. Bioorg Med Chem Lett. 2007 Dec 1;17(23):6529-34.
• [5] Gelatinase inhibitors: a patent review (2011-2017).Expert Opin Ther Pat. 2018 Jan;28(1):31-46.
• [6] Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia si... J Biol Chem. 2007 Sep 21;282(38):27781-91.
• [7] Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13). Bioorg Med Chem Lett. 2005 Feb 15;15(4):1101-6.
• [8] Introduction of the 4-(4-bromophenyl)benzenesulfonyl group to hydrazide analogs of Ilomastat leads to potent gelatinase B (MMP-9) inhibitors with i... Bioorg Med Chem. 2008 Sep 15;16(18):8745-59.
• [9] Selective matrix metalloproteinase inhibition attenuates progression of left ventricular dysfunction and remodeling in dogs with chronic heart fail... Am J Physiol Heart Circ Physiol. 2006 Jun;290(6):H2522-7.
• [10] Matrix metalloproteinase inhibitor BB-94 (batimastat) inhibits human colon tumor growth and spread in a patient-like orthotopic model in nude mice. Cancer Res. 1994 Sep 1;54(17):4726-8.
• [11] Amide surrogates of matrix metalloproteinase inhibitors: Urea and sulfonamide mimics, Bioorg. Med. Chem. Lett. 7(18):2331-2336 (1997).
• [12] Broad spectrum matrix metalloproteinase inhibitors: an examination of succinamide hydroxamate inhibitors with P1 C alpha gem-disubstitution. Bioorg Med Chem Lett. 1998 Jun 16;8(12):1443-8.
• [13] Inhibition of matrix metalloproteinases by N-carboxyalkyl peptides containing extended alkyl residues At P1', Bioorg. Med. Chem. Lett. 5(6):539-542 (1995).
• [14] The asymmetric synthesis and in vitro characterization of succinyl mercaptoalcohol and mercaptoketone inhibitors of matrix metalloproteinases. Bioorg Med Chem Lett. 1998 May 19;8(10):1163-8.
• [15] Strategies for MMP inhibition in cancer: innovations for the post-trial era. Nat Rev Cancer. 2002 Sep;2(9):657-72.