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

General Information of Drug (ID: DMFSWGH)

• Drug Name: Econazole Drug Info
• Synonyms: Ecostatin; Palavale; Pevaryl; Ecostatin Vaginal Ovules; Ecostatin cream; Spectazole cream; SQ 13050; Ecostatin (TN); Gyno-Pevaryl 150; Gyno-pevaryl; Pevaryl (TN); Spectazole (TN); Econazole (USAN/INN); 1-[2,4-Dichloro-.beta.-[(p-chlorobenzyl)oxy]phenethyl]imidazole; 1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; 1-{2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; 1-{2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole

Indication

Disease Entry	ICD 11	Status	REF
Cutaneous candidiasis	1F23.14	Approved	[1]
Tinea corporis	1F28.Y	Approved	[1]
Tinea cruris	1F28.3	Approved	[1]
Tinea pedis	1F28.2	Approved	[1]
Tinea versicolor	1F2D.0	Approved	[1]

• Therapeutic Class: Antifungal Agents
• Cross-matching ID:
  PubChem CID: 3198
  ChEBI ID: CHEMBL82873
  CAS Number: CAS 27220-47-9
  TTD Drug ID: DMFSWGH
  VARIDT Drug ID: DR00808

Molecule-Related Drug Atlas

Drug(s) Targeting Candida Cytochrome P450 51 (Candi ERG11)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Voriconazole	DMAOL2S	Aspergillosis	1F20	Approved	[4]
Itraconazole	DMCR1MV	Aspergillosis	1F20	Approved	[4]
Posaconazole	DMUL5EW	Aspergillosis	1F20	Approved	[5]
Ketoconazole	DMPZI3Q	Blastomycosis	1F22	Approved	[6]
Miconazole	DMPMYE8	Cutaneous candidiasis	1F23.14	Approved	[4]
Oxiconazole	DME7KRM	Tinea corporis	1F28.Y	Approved	[7]
Fluconazole	DMOWZ6B	Cryptococcal meningitis		Approved	[4]
Terconazole	DMJ13KI	Candidiasis	1F23	Approved	[8]
Bifonazole	DM3KN7V	Fungal infection	1F29-1F2F	Approved	[9]
Tioconazole	DMNYPGS	Onychomycosis	EE12.1	Approved	[10]

Drug(s) Affected By Potassium voltage-gated channel subfamily A member 3 (KCNA3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[3]
Fluoxetine	DM3PD2C	Bipolar depression		Approved	[11]
Reserpine	DM6VM38	Hypertension	BA00-BA04	Approved	[3]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[12]
Nifedipine	DMSVOZT	Angina pectoris	BA40	Approved	[11]
Arsenic	DMTL2Y1	N. A.	N. A.	Approved	[13]
(+)-JQ1	DM1CZSJ	Testicular cancer	2C80	Phase 1	[14]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[15]
Sulforaphane	DMQY3L0	Skin disease	EA00-EM0Z	Investigative	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Cytochrome P450 51 (Candi ERG11)	TTTSOUD	CP51_CANAL	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Potassium voltage-gated channel subfamily A member 3 (KCNA3)	OTXSP3AA	KCNA3_HUMAN	Gene/Protein Processing	[3]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Differential azole antifungal efficacies contrasted using a Saccharomyces cerevisiae strain humanized for sterol 14 alpha-demethylase at the homolo... Antimicrob Agents Chemother. 2008 Oct;52(10):3597-603.
• [3] Identification of quaternary ammonium compounds as potent inhibitors of hERG potassium channels. Toxicol Appl Pharmacol. 2011 May 1;252(3):250-8. doi: 10.1016/j.taap.2011.02.016. Epub 2011 Feb 26.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [5] A new, broad-spectrum azole antifungal: posaconazole--mechanisms of action and resistance, spectrum of activity. Mycoses. 2006;49 Suppl 1:2-6.
• [6] Clinical pharmacokinetics and pharmacodynamics of solifenacin. Clin Pharmacokinet. 2009;48(5):281-302.
• [7] Antifungal agents: mechanisms of action. Trends Microbiol. 2003 Jun;11(6):272-9.
• [8] Mode of action of anti-Candida drugs: focus on terconazole and other ergosterol biosynthesis inhibitors. Am J Obstet Gynecol. 1991 Oct;165(4 Pt 2):1193-9.
• [9] Investigation of the role of cytochrome P450 2B4 active site residues in substrate metabolism based on crystal structures of the ligand-bound enzyme. Arch Biochem Biophys. 2006 Nov 1;455(1):61-7.
• [10] Biological spectra analysis: Linking biological activity profiles to molecular structure. Proc Natl Acad Sci U S A. 2005 Jan 11;102(2):261-6.
• [11] A cell-based Rb(+)-flux assay of the Kv1.3 potassium channel. Assay Drug Dev Technol. 2007 Jun;5(3):373-80. doi: 10.1089/adt.2006.004.
• [12] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [13] Prenatal arsenic exposure and the epigenome: identifying sites of 5-methylcytosine alterations that predict functional changes in gene expression in newborn cord blood and subsequent birth outcomes. Toxicol Sci. 2015 Jan;143(1):97-106. doi: 10.1093/toxsci/kfu210. Epub 2014 Oct 10.
• [14] BET bromodomain inhibition as a therapeutic strategy to target c-Myc. Cell. 2011 Sep 16;146(6):904-17.
• [15] Air pollution and DNA methylation alterations in lung cancer: A systematic and comparative study. Oncotarget. 2017 Jan 3;8(1):1369-1391. doi: 10.18632/oncotarget.13622.
• [16] Sulforaphane-induced apoptosis in human leukemia HL-60 cells through extrinsic and intrinsic signal pathways and altering associated genes expression assayed by cDNA microarray. Environ Toxicol. 2017 Jan;32(1):311-328.