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

General Information of Drug (ID: DMS5XRY)

Drug Name

PNU-107859 Drug Info

Synonyms

PNU-107859; 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE; CHEMBL249847; ATT; 3usn; AC1N9ZM9; SCHEMBL6954588; RKWXKADYTDWZIJ-VIFPVBQESA-N; ZINC6379443; BDBM50241372; DB07390; N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide; (2S)-N-methyl-3-phenyl-2-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino}propanamide; (S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-3-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)urea

Indication

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

Cross-matching ID

PubChem CID: 4369084
TTD Drug ID: DMS5XRY

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Patented Agent(s)

Discontinued Drug(s)

Preclinical Drug(s)

Investigative Drug(s)

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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	[2]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[3]
Marimastat	DM6V34C	Pancreatic cancer	2C10	Phase 3	[4]
Neovastat	DMXTYWJ	Non-small-cell lung cancer	2C25.Y	Phase 1	[5]
Metastat	DMTQ4PN	Acne vulgaris	ED80	Phase 1	[6]
PMID29130358-Compound-Figure18(14a)	DMHIBTZ	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-Figure10(2a)	DMFWXPS	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-Figure16(9b)	DMPAQLZ	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-SB-3CT	DMC64XQ	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-Figure16(9a)	DMKX5R8	N. A.	N. A.	Patented	[7]
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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	[8]
RS-130830	DMOTANY	Hepatitis C virus infection	1E51.1	Discontinued in Phase 2	[9]
PG-530742	DMELXBQ	Myocardial infarction	BA41-BA43	Discontinued in Phase 2	[10]
Batimastat	DM92VRP	Idiopathic pulmonary fibrosis	CB03.4	Preclinical	[11]
SC-44463	DMBPNKT	N. A.	N. A.	Terminated	[12]
BB-1101	DM7GH5Z	Multiple sclerosis	8A40	Terminated	[13]
L-696418	DMV785R	N. A.	N. A.	Terminated	[14]
RO-319790	DML3NEU	Rheumatoid arthritis	FA20	Terminated	[15]
MMI270	DM38N2K	Discovery agent	N.A.	Investigative	[6]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-2 (MMP-2)	TTLM12X	MMP2_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-3 (MMP-3)	TTUZ2L5	MMP3_HUMAN	Inhibitor	[1]

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References

1	A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics s... J Med Chem. 2004 Jun 3;47(12):3065-74.
2	AG-3340 (Agouron Pharmaceuticals Inc). IDrugs. 2000 Mar;3(3):336-45.
3	Regioselective synthesis of methylated epigallocatechin gallate via nitrobenzenesulfonyl (Ns) protecting group. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4171-4.
4	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.
5	Neovastat, a naturally occurring multifunctional antiangiogenic drug, in phase III clinical trials. Semin Oncol. 2001 Dec;28(6):620-5.
6	Strategies for MMP inhibition in cancer: innovations for the post-trial era. Nat Rev Cancer. 2002 Sep;2(9):657-72.
7	Gelatinase inhibitors: a patent review (2011-2017).Expert Opin Ther Pat. 2018 Jan;28(1):31-46.
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	Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13). Bioorg Med Chem Lett. 2005 Feb 15;15(4):1101-6.
10	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.
11	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.
12	Amide surrogates of matrix metalloproteinase inhibitors: Urea and sulfonamide mimics, Bioorg. Med. Chem. Lett. 7(18):2331-2336 (1997).
13	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.
14	Inhibition of matrix metalloproteinases by N-carboxyalkyl peptides containing extended alkyl residues At P1', Bioorg. Med. Chem. Lett. 5(6):539-542 (1995).
15	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.