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

General Information of Drug (ID: DML3NEU)

• Drug Name: RO-319790 Drug Info
• Synonyms: Ro-31-9790; CHEMBL16520; Ro 31-9790; (R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-isobutylsuccinamide; SCHEMBL4633699; QRXOZHSEEGNRFC-ZYHUDNBSSA-N; ZINC1534591; BDBM50063920; CS-6682; HY-101703

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Terminated	[1]

• Cross-matching ID:
  PubChem CID: 9904965
  TTD Drug ID: DML3NEU

Molecule-Related Drug Atlas

Drug(s) Targeting Matrix metalloproteinase-1 (MMP-1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Prinomastat	DM9HOKG	Lung cancer	2C25.0	Approved	[3]
Marimastat	DM6V34C	Pancreatic cancer	2C10	Phase 3	[4]
CIPEMASTAT	DM803GL	Rheumatoid arthritis	FA20	Phase 3	[5]
Apratastat	DM8W4N9	Rheumatoid arthritis	FA20	Phase 2	[6]
PMID29130358-Compound-Figure18(14a)	DMHIBTZ	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-Figure10(2a)	DMFWXPS	N. A.	N. A.	Patented	[7]
BMS 275291	DMKSFPE	Kaposi sarcoma	2B57	Discontinued in Phase 3	[8]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[9]
RS-130830	DMOTANY	Hepatitis C virus infection	1E51.1	Discontinued in Phase 2	[10]
XL784	DMICR39	Diabetic nephropathy	GB61.Z	Discontinued in Phase 2	[11]

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	[12]
DP-b99	DM97S10	Stroke	8B20	Phase 3	[13]
GS-5745	DMP8MDW	Gastric adenocarcinoma	2B72	Phase 3	[14]
Andecaliximab	DMLDB1X	Gastric adenocarcinoma	2B72	Phase 3	[15]
BLZ-100	DMFKA4G	Glioma	2A00.0	Phase 1/2	[16]
Neovastat	DMXTYWJ	Non-small-cell lung cancer	2C25.Y	Phase 1	[17]
PMID29130358-Compound-Figure18(14a)	DMHIBTZ	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-Figure17(12)	DMML4PA	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-Figure17(10)	DMVA15O	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-SB-3CT	DMC64XQ	N. A.	N. A.	Patented	[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	[7]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[9]
RS-130830	DMOTANY	Hepatitis C virus infection	1E51.1	Discontinued in Phase 2	[10]
PG-530742	DMELXBQ	Myocardial infarction	BA41-BA43	Discontinued in Phase 2	[18]
Batimastat	DM92VRP	Idiopathic pulmonary fibrosis	CB03.4	Preclinical	[19]
SC-44463	DMBPNKT	N. A.	N. A.	Terminated	[20]
BB-1101	DM7GH5Z	Multiple sclerosis	8A40	Terminated	[21]
L-696418	DMV785R	N. A.	N. A.	Terminated	[22]
MMI270	DM38N2K	Discovery agent	N.A.	Investigative	[23]
IK-862	DMJA4UE	Discovery agent	N.A.	Investigative	[24]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-1 (MMP-1)	TTMX39J	MMP1_HUMAN	Inhibitor	[2]
Matrix metalloproteinase-3 (MMP-3)	TTUZ2L5	MMP3_HUMAN	Inhibitor	[2]
Matrix metalloproteinase-9 (MMP-9)	TT6X50U	MMP9_HUMAN	Inhibitor	[2]

References

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• [3] AG-3340 (Agouron Pharmaceuticals Inc). IDrugs. 2000 Mar;3(3):336-45.
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• [10] Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13). Bioorg Med Chem Lett. 2005 Feb 15;15(4):1101-6.
• [11] Agents in development for the treatment of diabetic nephropathy. Expert Opin Emerg Drugs. 2008 Sep;13(3):447-63.
• [12] 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.
• [13] DP-b99 modulates matrix metalloproteinase activity and neuronal plasticity. PLoS One. 2014 Jun 11;9(6):e99789.
• [14] National Cancer Institute Drug Dictionary (drug id 747683).
• [15] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [16] Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.
• [17] Neovastat, a naturally occurring multifunctional antiangiogenic drug, in phase III clinical trials. Semin Oncol. 2001 Dec;28(6):620-5.
• [18] 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.
• [19] 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.
• [20] Amide surrogates of matrix metalloproteinase inhibitors: Urea and sulfonamide mimics, Bioorg. Med. Chem. Lett. 7(18):2331-2336 (1997).
• [21] 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.
• [22] Inhibition of matrix metalloproteinases by N-carboxyalkyl peptides containing extended alkyl residues At P1', Bioorg. Med. Chem. Lett. 5(6):539-542 (1995).
• [23] Strategies for MMP inhibition in cancer: innovations for the post-trial era. Nat Rev Cancer. 2002 Sep;2(9):657-72.
• [24] 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.