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

General Information of Drug (ID: DM71WQT)

• Drug Name: AR-C133057XX Drug Info
• Synonyms: CHEMBL114500; 4-({4-[(4-Methoxypyridin-2-Yl)amino]piperidin-1-Yl}carbonyl)benzonitrile; 4-[4-[(4-Methoxypyridin-2-yl)amino]piperidine-1-carbonyl]benzonitrile; 4-{4-[(4-methoxypyridin-2-yl)amino]piperidine-1-carbonyl}benzonitrile; AR-C133057XX; SCHEMBL7824352; CHEBI:95013; BDBM50148167; DB07002; BRD-K40892394-001-01-9; 4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carbonyl)benzonitrile; 4-[4-(4-Methoxy-pyridin-2-ylamino)-piperidine-1-carbonyl]-benzonitrile

Indication

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

• Cross-matching ID:
  PubChem CID: 9797857
  ChEBI ID: CHEBI:95013
  CAS Number: CAS 268730-08-1
  TTD Drug ID: DM71WQT

Molecule-Related Drug Atlas

Drug(s) Targeting Nitric-oxide synthase inducible (NOS2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[2]
SD-6010	DM9DEYL	Osteoarthritis	FA00-FA05	Phase 3	[3]
MPL-S	DMNDCFY	Endotoxic shock	1G41	Phase 3	[4]
Pimagedine HCl	DMPWH30	Diabetic kidney disease	GB61.Z	Phase 2/3	[5]
GW274150	DMZMCB1	Asthma	CA23	Phase 2	[6]
BXT-51072	DMD8GNB	Cardiovascular disease	BA00-BE2Z	Phase 2	[7]
HP-228	DMNZ35F	Postoperative pain	MG30-MG3Z	Phase 2	[8]
CR-3294	DMHJEZS	Diarrhea	ME05.1	Phase 2	[9]
KD-7040	DME1WV2	Pain	MG30-MG3Z	Phase 2	[10]
LT-1951	DM5N04G	Coronary artery disease	BA80	Phase 1/2	[11]

Drug(s) Targeting Nitric-oxide synthase brain (NOS1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
NXN-188	DMMBAIH	Migraine	8A80	Phase 2	[12]
NXN-462	DMWVBS2	Headache	8A80-8A84	Phase 2	[13]
L-NIL	DM6Y49D	N. A.	N. A.	Terminated	[14]
Alpha-D-Mannose	DMF5DLW	Discovery agent	N.A.	Investigative	[15]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[15]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[15]
Heme	DMGC287	Discovery agent	N.A.	Investigative	[16]
Formic Acid	DMNFZC6	Discovery agent	N.A.	Investigative	[15]
2'-Monophosphoadenosine 5'-Diphosphoribose	DME9S8M	Discovery agent	N.A.	Investigative	[15]
6-isobutyl-4-methylpyridin-2-amine	DM2XB68	Discovery agent	N.A.	Investigative	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase brain (NOS1)	TTZUFI5	NOS1_HUMAN	Inhibitor	[1]
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_HUMAN	Inhibitor	[1]

References

• [1] Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat Chem Biol. 2008 Nov;4(11):700-7.
• [2] A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20523-8.
• [3] A 2-year randomised, double-blind, placebo-controlled, multicentre study of oral selective iNOS inhibitor, cindunistat (SD-6010), in patients with symptomatic osteoarthritis of the knee. Ann Rheum Dis. 2013 Feb;72(2):187-95.
• [4] Lipopolysaccharide and monophosphoryl lipid A differentially regulate interleukin-12, gamma interferon, and interleukin-10 mRNA production in murine macrophages. Infect Immun. 1997 Aug;65(8):3239-47.
• [5] Nitric oxide associated with iNOS expression inhibits acetylcholinesterase activity and induces memory impairment during acute hypobaric hypoxia. Brain Res. 2008 Sep 16;1230:138-49.
• [6] GW274150, a potent and highly selective inhibitor of iNOS, reduces experimental renal ischemia/reperfusion injury. Kidney Int. 2003 Mar;63(3):853-65.
• [7] Shear stress induces iNOS expression in cultured smooth muscle cells: role of oxidative stress. Am J Physiol Cell Physiol. 2000 Dec;279(6):C1880-8.
• [8] HP-228, a novel synthetic peptide, inhibits the induction of nitric oxide synthase in vivo but not in vitro. J Pharmacol Exp Ther. 1995 Nov;275(2):584-91.
• [9] Efficacy of CR3294, a new benzamidine derivative, in the prevention of 5-fluorouracil-induced gastrointestinal mucositis and diarrhea in mice. Cancer Chemother Pharmacol. 2010 October; 66(5): 819-827.
• [10] WO patent application no. 2014,0214,08, Method for treating cancer by anticancer agent co-administration.
• [11] Critical role of L-arginine in endothelial cell survival during oxidative stress. Circulation. 2003 May 27;107(20):2607-14.
• [12] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [13] ClinicalTrials.gov (NCT01748877) Efficacy, Tolerability, and Safety of NXN-462 in Patients With Post-Herpetic Neuralgia. U.S. National Institutes of Health.
• [14] Discovery of a series of aminopiperidines as novel iNOS inhibitors. Bioorg Med Chem Lett. 2008 Jan 1;18(1):336-43.
• [15] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [16] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [17] Design and synthesis of 2-amino-4-methylpyridine analogues as inhibitors for inducible nitric oxide synthase and in vivo evaluation of [18F]6-(2-fl... J Med Chem. 2009 Apr 23;52(8):2443-53.