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

General Information of Drug (ID: DMBCO4Q)

• Drug Name: Arsenite Drug Info
• Synonyms: Arsenenous acid; 13768-07-5; Arsenite (ion); AC1L2NJ5

Indication

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

• Cross-matching ID:
  PubChem CID: 24577
  CAS Number: CAS 13768-07-5
  TTD Drug ID: DMBCO4Q
  VARIDT Drug ID: DR00312

Molecule-Related Drug Atlas

Drug(s) Targeting Inhibitor of nuclear factor kappa-B kinase (IKK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dihydrothieno [2,3-e]indazole derivative 1	DMUJ3XK	N. A.	N. A.	Patented	[5]
Dihydrothieno [2,3-e]indazole derivative 4	DMR4LPO	N. A.	N. A.	Patented	[5]
Dihydrothieno [2,3-e]indazole derivative 3	DM85VQR	N. A.	N. A.	Patented	[5]
Dihydrothieno [2,3-e]indazole derivative 2	DM0D3HU	N. A.	N. A.	Patented	[5]
PMID23099093C17d	DMWS7O9	Discovery agent	N.A.	Investigative	[6]
5-Bromo-6-methoxy-9H-beta-carboline	DM157OQ	Discovery agent	N.A.	Investigative	[7]
MRT67307	DMYRCHG	Discovery agent	N.A.	Investigative	[8]
PS-1145	DMVUMWZ	Multiple myeloma	2A83	Investigative	[9]
4-hydroxy-2-nonenal	DM2LJFZ	Discovery agent	N.A.	Investigative	[10]
BMS-345541	DM7D519	Arthritis	FA20	Investigative	[11]

Drug(s) Transported By Multidrug resistance-associated protein 1 (ABCC1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[12]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[13]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[14]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[15]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[16]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[17]
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[18]
Glutathione	DMAHMT9	Human immunodeficiency virus infection	1C62	Approved	[19]
Phenytoin	DMNOKBV	Epilepsy	8A60-8A68	Approved	[20]
Daunorubicin	DMQUSBT	Acute monocytic leukemia		Approved	[21]

Drug(s) Transported By Glucose transporter type 1, erythrocyte/brain (SLC2A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
2-deoxyglucose	DMIAHVU	Solid tumour/cancer	2A00-2F9Z	Approved	[22]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[23]
D-glucose	DMMG2TO	Discovery agent	N.A.	Investigative	[24]
dehydroascorbic acid	DMKYQO4	Discovery agent	N.A.	Investigative	[25]

Drug(s) Transported By Feline leukemia virus subgroup C receptor-related protein 1 (SLC49A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Quercetin	DM3NC4M	Obesity	5B81	Approved	[2]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inhibitor of nuclear factor kappa-B kinase (IKK)	TTRPDBG	NOUNIPROTAC	Inhibitor	[1]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Feline leukemia virus subgroup C receptor-related protein 1 (SLC49A1)	DTH6X7Q	FLVC1_HUMAN	Substrate	[2]
Glucose transporter type 1, erythrocyte/brain (SLC2A1)	DTG3T6X	GTR1_HUMAN	Substrate	[3]
Multidrug resistance-associated protein 1 (ABCC1)	DTSYQGK	MRP1_HUMAN	Substrate	[4]

References

• [1] Inhibition of NF-kappa B activation by arsenite through reaction with a critical cysteine in the activation loop of Ikappa B kinase. J Biol Chem. 2000 Nov 17;275(46):36062-6.
• [2] The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.1.28.1)
• [3] Mammalian glucose permease GLUT1 facilitates transport of arsenic trioxide and methylarsonous acid. Biochem Biophys Res Commun. 2006 Dec 15;351(2):424-30.
• [4] Comparative Molecular Docking Studies with ABCC1 and Aquaporin 9 in the Arsenite Complex Efflux. Bioinformation. 2014 Aug 30;10(8):474-9.
• [5] Novel NF-B inhibitors: a patent review (2011 - 2014).Expert Opin Ther Pat. 2015 Mar;25(3):319-34.
• [6] Synthesis and structure-activity relationships of a novel series of pyrimidines as potent inhibitors of TBK1/IKKepsilon kinases. Bioorg Med Chem Lett. 2012 Dec 1;22(23):7169-73.
• [7] Novel IKK inhibitors: beta-carbolines. Bioorg Med Chem Lett. 2003 Jul 21;13(14):2419-22.
• [8] Novel cross-talk within the IKK family controls innate immunity. Biochem J. 2011 Feb 15;434(1):93-104.
• [9] Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127.
• [10] IkappaB kinase, a molecular target for inhibition by 4-hydroxy-2-nonenal. J Biol Chem. 2001 May 25;276(21):18223-8.
• [11] A highly selective inhibitor of I kappa B kinase, BMS-345541, blocks both joint inflammation and destruction in collagen-induced arthritis in mice. Arthritis Rheum. 2003 Sep;48(9):2652-9.
• [12] The role of bioreductive activation of doxorubicin in cytotoxic activity against leukaemia HL60-sensitive cell line and its multidrug-resistant sublines. Br J Cancer. 2005 Jul 11;93(1):89-97.
• [13] Transport of methotrexate (MTX) and folates by multidrug resistance protein (MRP) 3 and MRP1: effect of polyglutamylation on MTX transport. Cancer Res. 2001 Oct 1;61(19):7225-32.
• [14] Folate concentration dependent transport activity of the Multidrug Resistance Protein 1 (ABCC1). Biochem Pharmacol. 2004 Apr 15;67(8):1541-8.
• [15] Hammerhead ribozyme against gamma-glutamylcysteine synthetase sensitizes human colonic cancer cells to cisplatin by down-regulating both the glutathione synthesis and the expression of multidrug resistance proteins. Cancer Gene Ther. 2001 Oct;8(10):803-14.
• [16] Multidrug resistance-associated protein-1 functional activity in Calu-3 cells. J Pharmacol Exp Ther. 2001 Sep;298(3):1199-205.
• [17] Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.
• [18] ATP-Dependent efflux of CPT-11 and SN-38 by the multidrug resistance protein (MRP) and its inhibition by PAK-104P. Mol Pharmacol. 1999 May;55(5):921-8.
• [19] Structural determinants of substrate specificity differences between human multidrug resistance protein (MRP) 1 (ABCC1) and MRP3 (ABCC3). Drug Metab Dispos. 2008 Dec;36(12):2571-81.
• [20] Evaluation of transport of common antiepileptic drugs by human multidrug resistance-associated proteins (MRP1, 2 and 5) that are overexpressed in pharmacoresistant epilepsy. Neuropharmacology. 2010 Jun;58(7):1019-32.
• [21] Vinblastine and sulfinpyrazone export by the multidrug resistance protein MRP2 is associated with glutathione export. Br J Cancer. 2000 Aug;83(3):375-83.
• [22] Glutamine 161 of Glut1 glucose transporter is critical for transport activity and exofacial ligand binding. J Biol Chem. 1994 Aug 12;269(32):20533-8.
• [23] Oral Bioavailability and Disposition of Phytochemicals
• [24] The SLC2 (GLUT) family of membrane transporters. Mol Aspects Med. 2013 Apr-Jun;34(2-3):121-38.
• [25] Glucose transporter isoforms GLUT1 and GLUT3 transport dehydroascorbic acid. J Biol Chem. 1997 Jul 25;272(30):18982-9.