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

General Information of Drug (ID: DMGI0YV)

• Drug Name: 4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid Drug Info
• Synonyms: CHEMBL448246; 3-(4-Hexyloxy-phenyl)-succinamic acid; AC1LCKXS; SMR000008837; MLS000073581; 4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid; cid_651854; HMS2162F22; HMS3313H20; BDBM50247490; AKOS000505159; AKOS030483668; BAS 00404306; 4-amino-3-(4-hexoxyphenyl)-4-oxobutanoic acid; SR-01000514729

Indication

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

• Cross-matching ID:
  PubChem CID: 651854
  TTD Drug ID: DMGI0YV

Molecule-Related Drug Atlas

Drug(s) Targeting Matrix metalloproteinase-8 (MMP-8)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
CIPEMASTAT	DM803GL	Rheumatoid arthritis	FA20	Phase 3	[2]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[3]
SC-44463	DMBPNKT	N. A.	N. A.	Terminated	[4]
BB-1101	DM7GH5Z	Multiple sclerosis	8A40	Terminated	[5]
MMI270	DM38N2K	Discovery agent	N.A.	Investigative	[6]
IK-862	DMJA4UE	Discovery agent	N.A.	Investigative	[7]
2-(Biphenyl-4-ylsulfonyl)N-hydroxybenzamide	DMCNV5J	Discovery agent	N.A.	Investigative	[8]
SL422	DM3I2US	Discovery agent	N.A.	Investigative	[9]
[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]

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	[13]
PMID29130358-Compound-Figure16(9b)	DMPAQLZ	N. A.	N. A.	Patented	[13]
PMID29130358-Compound-Figure16(9a)	DMKX5R8	N. A.	N. A.	Patented	[13]
PMID29130358-Compound-Figure18(14)	DM7WXJ9	N. A.	N. A.	Patented	[13]
PMID29130358-Compound-Figure16(9c)	DM0ZRI9	N. A.	N. A.	Patented	[13]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[14]
RS-130830	DMOTANY	Hepatitis C virus infection	1E51.1	Discontinued in Phase 2	[15]

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	[16]
DP-b99	DM97S10	Stroke	8B20	Phase 3	[17]
GS-5745	DMP8MDW	Gastric adenocarcinoma	2B72	Phase 3	[18]
Andecaliximab	DMLDB1X	Gastric adenocarcinoma	2B72	Phase 3	[19]
BLZ-100	DMFKA4G	Glioma	2A00.0	Phase 1/2	[20]
Neovastat	DMXTYWJ	Non-small-cell lung cancer	2C25.Y	Phase 1	[21]
PMID29130358-Compound-Figure18(14a)	DMHIBTZ	N. A.	N. A.	Patented	[13]
PMID29130358-Compound-Figure17(12)	DMML4PA	N. A.	N. A.	Patented	[13]
PMID29130358-Compound-Figure17(10)	DMVA15O	N. A.	N. A.	Patented	[13]
PMID29130358-Compound-SB-3CT	DMC64XQ	N. A.	N. A.	Patented	[13]

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-8 (MMP-8)	TTGA1IV	MMP8_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-9 (MMP-9)	TT6X50U	MMP9_HUMAN	Inhibitor	[1]

References

• [1] Ranking the selectivity of PubChem screening hits by activity-based protein profiling: MMP13 as a case study. Bioorg Med Chem. 2009 Feb 1;17(3):1101-8.
• [2] Matrix metalloproteinase inhibition lowers mortality and brain injury in experimental pneumococcal meningitis. Infect Immun. 2014 Apr;82(4):1710-8.
• [3] Hydroxamate inhibitors of human gelatinase B (92 kDa), Bioorg. Med. Chem. Lett. 5(4):349-352 (1995).
• [4] Design and synthesis of a series of (2R)-N(4)-hydroxy-2-(3-hydroxybenzyl)-N(1)- [(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide derivati... J Med Chem. 2001 Oct 11;44(21):3347-50.
• [5] New alpha-substituted succinate-based hydroxamic acids as TNFalpha convertase inhibitors. J Med Chem. 1999 Nov 18;42(23):4890-908.
• [6] Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors. J Med Chem. 1999 Nov 4;42(22):4547-62.
• [7] 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.
• [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] Design, synthesis, and structure-activity relationships of macrocyclic hydroxamic acids that inhibit tumor necrosis factor alpha release in vitro and in vivo. J Med Chem. 2001 Aug 2;44(16):2636-60.
• [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] Gelatinase inhibitors: a patent review (2011-2017).Expert Opin Ther Pat. 2018 Jan;28(1):31-46.
• [14] 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.
• [15] Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13). Bioorg Med Chem Lett. 2005 Feb 15;15(4):1101-6.
• [16] 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.
• [17] DP-b99 modulates matrix metalloproteinase activity and neuronal plasticity. PLoS One. 2014 Jun 11;9(6):e99789.
• [18] National Cancer Institute Drug Dictionary (drug id 747683).
• [19] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [20] Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.
• [21] Neovastat, a naturally occurring multifunctional antiangiogenic drug, in phase III clinical trials. Semin Oncol. 2001 Dec;28(6):620-5.