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

General Information of Drug (ID: DMQDPHT)

• Drug Name: 3-(4-(2-phenylethynyl)benzoyl)pentanoic acid Drug Info
• Synonyms: CHEMBL202875; 3-(4-(2-phenylethynyl)benzoyl)pentanoic acid

Indication

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

• Cross-matching ID:
  PubChem CID: 11609208
  TTD Drug ID: DMQDPHT

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	[1]
AZD1236	DML3RSF	Chronic obstructive pulmonary disease	CA22	Discontinued in Phase 2	[5]
V85546	DMLFMSY	Inflammation	1A00-CA43.1	Discontinued in Phase 1	[6]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[7]
2-(Biphenyl-4-ylsulfonyl)N-hydroxybenzamide	DMCNV5J	Discovery agent	N.A.	Investigative	[8]

Drug(s) Targeting Matrix metalloproteinase-9 (MMP-9)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[9]
DP-b99	DM97S10	Stroke	8B20	Phase 3	[10]
GS-5745	DMP8MDW	Gastric adenocarcinoma	2B72	Phase 3	[11]
Andecaliximab	DMLDB1X	Gastric adenocarcinoma	2B72	Phase 3	[12]
BLZ-100	DMFKA4G	Glioma	2A00.0	Phase 1/2	[13]
Neovastat	DMXTYWJ	Non-small-cell lung cancer	2C25.Y	Phase 1	[2]
PMID29130358-Compound-Figure18(14a)	DMHIBTZ	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-Figure17(12)	DMML4PA	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-Figure17(10)	DMVA15O	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-SB-3CT	DMC64XQ	N. A.	N. A.	Patented	[4]

Drug(s) Targeting Matrix metalloproteinase-2 (MMP-2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Prinomastat	DM9HOKG	Lung cancer	2C25.0	Approved	[14]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[15]
Marimastat	DM6V34C	Pancreatic cancer	2C10	Phase 3	[16]
Neovastat	DMXTYWJ	Non-small-cell lung cancer	2C25.Y	Phase 1	[2]
Metastat	DMTQ4PN	Acne vulgaris	ED80	Phase 1	[17]
PMID29130358-Compound-Figure18(14a)	DMHIBTZ	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-Figure10(2a)	DMFWXPS	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-Figure16(9b)	DMPAQLZ	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-SB-3CT	DMC64XQ	N. A.	N. A.	Patented	[4]
PMID29130358-Compound-Figure16(9a)	DMKX5R8	N. A.	N. A.	Patented	[4]

Drug(s) Targeting Matrix metalloproteinase-21 (MMP-21)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[1]
IK-862	DMJA4UE	Discovery agent	N.A.	Investigative	[18]
SR-973	DMU48OD	Discovery agent	N.A.	Investigative	[19]
2-(Biphenyl-4-ylsulfonyl)N-hydroxybenzamide	DMCNV5J	Discovery agent	N.A.	Investigative	[8]
[2-(Biphenyl-4-sulfonyl)phenyl]acetic Acid	DM37C25	Discovery agent	N.A.	Investigative	[8]
N-Hydroxy-2-(4-phenoxy-benzenesulfonyl)benzamide	DM4VADN	Discovery agent	N.A.	Investigative	[8]
N-hydroxy-2,3-bis(phenylsulfonamido)propanamide	DMZWIVJ	Discovery agent	N.A.	Investigative	[20]

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-2 (MMP-2)	TTLM12X	MMP2_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-21 (MMP-21)	TTYRF5E	MMP21_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-9 (MMP-9)	TT6X50U	MMP9_HUMAN	Inhibitor	[1]

References

• [1] 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.
• [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] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [6] Clinical pipeline report, company report or official report of Vernalis.
• [7] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [8] 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.
• [9] Synthesis and biological evaluation of curcuminoid pyrazoles as new therapeutic agents in inflammatory bowel disease: effect on matrix metalloprote... Bioorg Med Chem. 2009 Feb 1;17(3):1290-6.
• [10] DP-b99 modulates matrix metalloproteinase activity and neuronal plasticity. PLoS One. 2014 Jun 11;9(6):e99789.
• [11] National Cancer Institute Drug Dictionary (drug id 747683).
• [12] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [13] Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.
• [14] AG-3340 (Agouron Pharmaceuticals Inc). IDrugs. 2000 Mar;3(3):336-45.
• [15] Regioselective synthesis of methylated epigallocatechin gallate via nitrobenzenesulfonyl (Ns) protecting group. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4171-4.
• [16] Metalloelastase (MMP-12) induced inflammatory response in mice airways: effects of dexamethasone, rolipram and marimastat. Eur J Pharmacol. 2007 Mar 15;559(1):75-81.
• [17] Strategies for MMP inhibition in cancer: innovations for the post-trial era. Nat Rev Cancer. 2002 Sep;2(9):657-72.
• [18] Discovery of gamma-lactam hydroxamic acids as selective inhibitors of tumor necrosis factor alpha converting enzyme: design, synthesis, and structu... J Med Chem. 2002 Nov 7;45(23):4954-7.
• [19] Synthesis and evaluation of succinoyl-caprolactam gamma-secretase inhibitors. Bioorg Med Chem Lett. 2006 May 1;16(9):2357-63.
• [20] Novel bis-(arylsulfonamide) hydroxamate-based selective MMP inhibitors. Bioorg Med Chem Lett. 2008 Jun 1;18(11):3333-7.