Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1578)
Drug Name
Thiabendazole
Synonyms
Thiaben; Thiabendazol; Thiabenzole; Thibendole; Thibenzol; Thibenzole; Thibenzole 200; Thibenzole att; Tiabenda; Tiabendazol; Tiabendazole; Top Form Wormer; Triasox; thiabendazole; APL-luster; Bioguard; Bovizole; Cropasal; Eprofil; Equizole; Hokustar HP; Lombristop; Mertec; Mertect; Mertect 160; Mintesol; Mintezol; Minzolum; Mycozol; Nemapan; Omnizole; Ormogal; Pitrizet; Polival; Sistesan; Storite; Tebuzate; Tecto 10P; Tecto 40F; Tecto 60; Tecto rph; 148-79-8; 2-(4-Thiazolyl)benzimidazole; 4-(1H-Benzo[d]imidazol-2-yl)thiazole; Tbdz; Testo; Tobaz
Indication Aspergillosis [ICD11: 1F20] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 201.25 Topological Polar Surface Area 69.8
Heavy Atom Count 14 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
5430
PubChem SID
9341 ; 397296 ; 481912 ; 603021 ; 855607 ; 906414 ; 3319048 ; 4262837 ; 5643850 ; 7847438 ; 7868816 ; 7890801 ; 7980772 ; 8149550 ; 8153342 ; 10321759 ; 10508572 ; 10589481 ; 11112304 ; 11335247 ; 11360486 ; 11362813 ; 11365375 ; 11367937 ; 11372373 ; 11373926 ; 11376099 ; 11408671 ; 11446358 ; 11453179 ; 11461458 ; 11466552 ; 11467672 ; 11485217 ; 11486164 ; 11489147 ; 11491222 ; 11492169 ; 11493853 ; 11534461 ; 14717006 ; 15195537 ; 17389714 ; 24869246 ; 24899102 ; 24900297 ; 24900571 ; 26611942 ; 26679510 ; 26697097
ChEBI ID
ChEBI:45979
CAS Number
148-79-8
TTD Drug ID
D08QCJ
Formula
C10H7N3S
Canonical SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
InChI
1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChIKey
WJCNZQLZVWNLKY-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
2-Acetylbenzimidazole DM004607
70322
Unclear 1 [3]
4-hydroxy-Thiabendazole DM004608
70463686
Unclear 1 [3]
5-hydroxythiabendazole DM004604
108227
Unclear 1 [4] , [3]
5-OH-Thiabendazole-glucuronide DM004605 N. A. Unclear 2 [3]
5-OH-Thiabendazole-sulphate DM004606
10402363
Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004949 Thiabendazole 5-hydroxythiabendazole Unclear CYP1A2 [4], [3]
MR004952 Thiabendazole 2-Acetylbenzimidazole Unclear Unclear [3]
MR004953 Thiabendazole 4-hydroxy-Thiabendazole Unclear Unclear [3]
MR004950 5-hydroxythiabendazole 5-OH-Thiabendazole-glucuronide Unclear Unclear [3]
MR004951 5-hydroxythiabendazole 5-OH-Thiabendazole-sulphate Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
References
1 Thiabendazole was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Synthetic and natural compounds that interact with human cytochrome P450 1A2 and implications in drug development. Curr Med Chem. 2009;16(31):4066-218.
3 New metabolites of thiabendazole and the metabolism of thiabendazole by mouse embryo in vivo and in vitro
4 Bifunctional cytosolic UDP-glucose 4-epimerases catalyse the interconversion between UDP-D-xylose and UDP-L-arabinose in plants

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