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

General Information of Drug (ID: DM7YCK3)

• Drug Name: Thiabendazole Drug Info
• Synonyms: Biogard; Bioguard; Bovizole; Cropasal; Drawipas; Eprofil; Equizole; Hymush; Lombristop; Mertec; Mertect; Mintesol; Mintezol; Mintezole; Minzolum; Mycozol; Nemacin; Nemapan; Omnizole; Ormogal; Pitrizet; Polival; RPH; Sistesan; Storite; Tbdz; Tebuzate; Tecto; Testo; Thiaben; Thiabendazol; Thiabendazolum; Thiabendole; Thiabenzazole; Thiabenzole; Thibendole; Thibenzol; Thibenzole; Thiprazole; Tiabenda; Tiabendazol; Tiabendazole; Tiabendazolum; Tobaz; Tresaderm; Triasox; Tubazole; Captan T; Equivet TZ; Equizole A; Helmindrax octelmin; Hokustar HP; Mertect lsp; RTU Flowable Fungicide; Tecto B; Tecto rph; Thibenzole att; Top Form Wormer; Chemviron TK 100; G 491; MK 360; Mertect 160; Mertect 340f; Metasol TK 100; Metasol tk 10; PS1057_SUPELCO; Sanaizol 100; Syntol M100; TBZ 6; TBZ 60W; Tecto 10P; Tecto 40F; Tecto 60; Thibenzole 200; Tibimix 20; APL-luster; Arbotect (TN); MK-360; Metasol TK-100; Mintezol (TN); TBZ-6; Thiabendazole (USP); Thiabendazole [BSI:ISO]; Thiabendazole [USAN:BAN]; Tiabendazolum [INN-Latin]; Tresaderm (TN); E-Z-Ex; Mintezol, Equizole, Thiabendazole; Tiabendazol [INN-Spanish, French]; Tiabendazole (JAN/INN); 2-(1,3-Thiazol-4-yl)-1H-benzimidazole; 2-(1,3-Thiazol-4-yl)benzimidazole; 2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole; 2-(4'-Thiazolyl)benzimidazole; 2-(4-Thiazolyl)-1H-benzimidazole; 2-(4-Thiazolyl)benzimidazole; 2-(Thiazol-4-yl)benzimidazole; 2-Thiazol-4-yl-1H-benzoimidazole; 2-Thiazole-4-ylbenzimidazole; 2-[4-Thiazoly]benzimidazole; 4-(1H-benzimidazol-2-yl)-1,3-thiazole; 4-(2-Benzimidazolyl)thiazole

Indication

Disease Entry	ICD 11	Status	REF
Ascariasis	1F62	Approved	[1]
Dutch elm disease	8D64	Approved	[2]
Enterobiasis	1F65	Approved	[1]
Helminth infection	1F90.0	Approved	[2]
Leptospira infection	1B91	Approved	[1]
Strongyloidiasis		Approved	[1]
Trichuris trichiura infection	1F6G	Approved	[1]
Toxocariasis		Investigative	[1]
Trichinellosis		Investigative	[1]

• Therapeutic Class: Antinematodal Agents
• Cross-matching ID:
  PubChem CID: 5430
  ChEBI ID: CHEMBL625
  CAS Number: CAS 148-79-8
  TTD Drug ID: DM7YCK3
  VARIDT Drug ID: DR00867
  INTEDE Drug ID: DR1578

Molecule-Related Drug Atlas

Drug(s) Targeting Bacterial Fumarate reductase flavoprotein (Bact frdA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Oxantel pamoate	DMZ30JT	Trichuris trichiura infection	1F6G	Approved	[3]
Morantel tartrate	DM560Y3	Mature gastrointestinal nematode infection	1F6Y	Approved	[3]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[7]
Heme	DMGC287	Discovery agent	N.A.	Investigative	[8]
Fumarate	DM9VLS2	Discovery agent	N.A.	Investigative	[7]
2,3-DIMETHYL-1,4-NAPHTHOQUINONE	DMGXVBA	Discovery agent	N.A.	Investigative	[8]
Citraconic acid	DMCIM9A	Discovery agent	N.A.	Investigative	[9]
2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL	DMUZDSC	Discovery agent	N.A.	Investigative	[8]
2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE	DMJ3ATL	Discovery agent	N.A.	Investigative	[8]
Malate Like Intermediate	DM4OQWZ	Discovery agent	N.A.	Investigative	[9]

Drug(s) Metabolized By Cytochrome P450 1A2 (CYP1A2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[10]
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[11]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[12]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[13]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[14]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[15]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[16]
Oxaliplatin	DMQNWRD	Adenocarcinoma	2D40	Approved	[17]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[18]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[19]

Drug(s) Affected By Nuclear receptor subfamily 1 group I member 2 (NR1I2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[5]
Vidarabine	DM0N85H	Hepatosplenic T-cell lymphoma		Approved	[5]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[20]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[21]
Secobarbital	DM14RF5	Epilepsy	8A60-8A68	Approved	[22]
Etidronic acid	DM1XHYJ	Bone Paget disease		Approved	[5]
Tiaprofenic acid	DM23D7J	Osteoarthritis	FA00-FA05	Approved	[5]
Bromperidol	DM24XYQ	Schizophrenia	6A20	Approved	[5]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[23]
Deoxycholic acid	DM3GYAL	Subcutaneous fat disorder	EF02	Approved	[24]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Fumarate reductase flavoprotein (Bact frdA)	TTHDSE2	FRDA_HELPY	Inhibitor	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 1A2 (CYP1A2) Main DME	DEJGDUW	CP1A2_HUMAN	Substrate	[4]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Nuclear receptor subfamily 1 group I member 2 (NR1I2)	OTC5U0N5	NR1I2_HUMAN	Gene/Protein Processing	[5]
Utrophin	OT7TZ637	UTRN_HUMAN	Gene/Protein Processing	[6]

References

• [1] Thiabendazole FDA Label
• [2] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7304).
• [3] Fumarate reductase is essential for Helicobacter pylori colonization of the mouse stomach. Microb Pathog. 2000 Nov;29(5):279-87.
• [4] Synthetic and natural compounds that interact with human cytochrome P450 1A2 and implications in drug development. Curr Med Chem. 2009;16(31):4066-218.
• [5] Screening of a chemical library reveals novel PXR-activating pharmacologic compounds. Toxicol Lett. 2015 Jan 5;232(1):193-202. doi: 10.1016/j.toxlet.2014.10.009. Epub 2014 Oct 16.
• [6] Drug discovery for Duchenne muscular dystrophy via utrophin promoter activation screening. PLoS One. 2011;6(10):e26169. doi: 10.1371/journal.pone.0026169. Epub 2011 Oct 20.
• [7] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [8] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [9] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
• [10] Roles of cytochromes P450 1A2, 2A6, and 2C8 in 5-fluorouracil formation from tegafur, an anticancer prodrug, in human liver microsomes. Drug Metab Dispos. 2000 Dec;28(12):1457-63.
• [11] Effects of polyunsaturated fatty acids on prostaglandin synthesis and cyclooxygenase-mediated DNA adduct formation by heterocyclic aromatic amines in human adenocarcinoma colon cells. Mol Carcinog. 2004 Jul;40(3):180-8.
• [12] Endoxifen and other metabolites of tamoxifen inhibit human hydroxysteroid sulfotransferase 2A1 (hSULT2A1). Drug Metab Dispos. 2014 Nov;42(11):1843-50.
• [13] Cytochrome P450 1A2 (CYP1A2) activity and risk factors for breast cancer: a cross-sectional study. Breast Cancer Res. 2004;6(4):R352-65.
• [14] PharmGKB summary: pathways of acetaminophen metabolism at the therapeutic versus toxic doses. Pharmacogenet Genomics. 2015 Aug;25(8):416-26.
• [15] The effect of apigenin on pharmacokinetics of imatinib and its metabolite N-desmethyl imatinib in rats. Biomed Res Int. 2013;2013:789184.
• [16] Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
• [17] The influence of metabolic gene polymorphisms on urinary 1-hydroxypyrene concentrations in Chinese coke oven workers. Sci Total Environ. 2007 Aug 1;381(1-3):38-46.
• [18] Identification of P450 enzymes involved in metabolism of verapamil in humans. Naunyn Schmiedebergs Arch Pharmacol. 1993 Sep;348(3):332-7.
• [19] Metabolism and metabolic inhibition of xanthotoxol in human liver microsomes. Evid Based Complement Alternat Med. 2016;2016:5416509.
• [20] Induction of PXR-mediated metabolism by beta-carotene. Biochim Biophys Acta. 2005 May 30;1740(2):162-9. doi: 10.1016/j.bbadis.2004.11.013. Epub 2004 Dec 8.
• [21] Lignans, bacteriocides and organochlorine compounds activate the human pregnane X receptor (PXR). Toxicol Appl Pharmacol. 2005 Dec 1;209(2):123-33. doi: 10.1016/j.taap.2005.03.015.
• [22] Identification and validation of novel human pregnane X receptor activators among prescribed drugs via ligand-based virtual screening. Drug Metab Dispos. 2011 Feb;39(2):337-44. doi: 10.1124/dmd.110.035808. Epub 2010 Nov 10.
• [23] Identification of HMG-CoA reductase inhibitors as activators for human, mouse and rat constitutive androstane receptor. Drug Metab Dispos. 2005 Jul;33(7):924-9.
• [24] Acetylated deoxycholic (DCA) and cholic (CA) acids are potent ligands of pregnane X (PXR) receptor. Toxicol Lett. 2017 Jan 4;265:86-96.