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

General Information of Drug (ID: DM95B4J)

• Drug Name: 2-(2-(biphenyl-4-yl)ethylsulfonyl)acetic acid Drug Info
• Synonyms: CHEMBL566511; 2-(2-(biphenyl-4-yl)ethylsulfonyl)acetic acid

Indication

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

• Cross-matching ID:
  PubChem CID: 45483015
  TTD Drug ID: DM95B4J

Molecule-Related Drug Atlas

Drug(s) Targeting Matrix metalloproteinase-12 (MMP-12)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Neovastat	DMXTYWJ	Non-small-cell lung cancer	2C25.Y	Phase 1	[2]
FP-025	DMH1NXO	Asthma	CA23	Phase 1	[3]
PMID29130358-Compound-Figure17(12)	DMML4PA	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-Figure17(10)	DMVA15O	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-Figure17(11)	DMSZA9L	N. A.	N. A.	Patented	[4]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[5]
AZD1236	DML3RSF	Chronic obstructive pulmonary disease	CA22	Discontinued in Phase 2	[6]
V85546	DMLFMSY	Inflammation	1A00-CA43.1	Discontinued in Phase 1	[7]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[8]
2-(Biphenyl-4-ylsulfonyl)N-hydroxybenzamide	DMCNV5J	Discovery agent	N.A.	Investigative	[9]

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	[10]
Apratastat	DM8W4N9	Rheumatoid arthritis	FA20	Phase 2	[11]
PMID17935984C1	DMO1IHL	Pain	MG30-MG3Z	Clinical trial	[12]
PMID29130358-Compound-Figure18(14a)	DMHIBTZ	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-Figure16(9b)	DMPAQLZ	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-Figure16(9a)	DMKX5R8	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-Figure18(14)	DM7WXJ9	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-Figure16(9c)	DM0ZRI9	N. A.	N. A.	Patented	[4]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[13]
RS-130830	DMOTANY	Hepatitis C virus infection	1E51.1	Discontinued in Phase 2	[14]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-12 (MMP-12)	TTXZ0KQ	MMP12_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-13 (MMP-13)	TTHY57M	MMP13_HUMAN	Inhibitor	[1]

References

• [1] The identification of beta-hydroxy carboxylic acids as selective MMP-12 inhibitors. Bioorg Med Chem Lett. 2009 Oct 1;19(19):5760-3.
• [2] Neovastat, a naturally occurring multifunctional antiangiogenic drug, in phase III clinical trials. Semin Oncol. 2001 Dec;28(6):620-5.
• [3] Potential clinical implications of recent matrix metalloproteinase inhibitor design strategies. Expert Rev Proteomics. 2015;12(5):445-7.
• [4] Gelatinase inhibitors: a patent review (2011-2017).Expert Opin Ther Pat. 2018 Jan;28(1):31-46.
• [5] Selective inhibition of matrix metalloproteinase isozymes and in vivo protection against emphysema by substituted gamma-keto carboxylic acids. J Med Chem. 2006 Jan 26;49(2):456-8.
• [6] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [7] Clinical pipeline report, company report or official report of Vernalis.
• [8] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [9] Design, synthesis, biological evaluation, and NMR studies of a new series of arylsulfones as selective and potent matrix metalloproteinase-12 inhib... J Med Chem. 2009 Oct 22;52(20):6347-61.
• [10] 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.
• [11] Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1605-9.
• [12] Potent, selective spiropyrrolidine pyrimidinetrione inhibitors of MMP-13. Bioorg Med Chem Lett. 2007 Dec 1;17(23):6529-34.
• [13] 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.
• [14] Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13). Bioorg Med Chem Lett. 2005 Feb 15;15(4):1101-6.