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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL625
CHEMBL625
Compound Name THIABENDAZOLE
ChEMBL Synonyms TIABENDAZOLE | Omnizole | E233 | Equizole | MK-360 | MINTEZOL | THIABENDAZOLE
Max Phase 4 (Approved)
Trade Names MINTEZOL | Omnizole | Equizole | Tiabendazole
Molecular Formula C10H7N3S

Additional synonyms for CHEMBL625 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2[nH]c(nc2c1)c3cscn3
Standard InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1 ...
Download InChI
Standard InChI Key WJCNZQLZVWNLKY-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL625

Molecule Features

CHEMBL625 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Tubulin inhibitor Tubulin ISBN ISBN PubMed
Tubulin inhibitor Tubulin ISBN ISBN PubMed

Clinical Data

ClinicalTrials.gov THIABENDAZOLE
The Cochrane Collaboration THIABENDAZOLE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL625. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3423 Methionine aminopeptidase Escherichia coli K-12 1.000
CHEMBL2527 Serine/threonine-protein kinase Chk2 Homo sapiens 1.000
CHEMBL3337 Vascular endothelial growth factor receptor 2 Mus musculus 1.000
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.994
CHEMBL2749 Platelet-derived growth factor receptor beta Mus musculus 0.993
CHEMBL6145 Inosine-5'-monophosphate dehydrogenase, probable Cryptosporidium parvum 0.984
CHEMBL2577 Sodium/hydrogen exchanger 1 Rattus norvegicus 0.957
CHEMBL5424 Acyl-CoA desaturase 1 Rattus norvegicus 0.937
CHEMBL4409 Phosphodiesterase 10A Homo sapiens 0.902
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.902
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.808
CHEMBL2288 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens 0.718
CHEMBL5387 Sonic hedgehog protein Mus musculus 0.418
CHEMBL3991 Coagulation factor VII Homo sapiens 0.341
CHEMBL335 Protein-tyrosine phosphatase 1B Homo sapiens 0.320
CHEMBL3759 Histamine H4 receptor Homo sapiens 0.291
CHEMBL3780 Small conductance calcium-activated potassium channel protein 3 Rattus norvegicus 0.281



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3423 Methionine aminopeptidase Escherichia coli K-12 1.000
CHEMBL2527 Serine/threonine-protein kinase Chk2 Homo sapiens 1.000
CHEMBL3337 Vascular endothelial growth factor receptor 2 Mus musculus 1.000
CHEMBL3921 Heparanase Homo sapiens 1.000
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.998
CHEMBL6145 Inosine-5'-monophosphate dehydrogenase, probable Cryptosporidium parvum 0.998
CHEMBL4374 Photoreceptor-specific nuclear receptor Homo sapiens 0.988
CHEMBL2749 Platelet-derived growth factor receptor beta Mus musculus 0.973
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.964
CHEMBL2577 Sodium/hydrogen exchanger 1 Rattus norvegicus 0.953
CHEMBL3721 Cytochrome P450 2C8 Homo sapiens 0.941
CHEMBL5424 Acyl-CoA desaturase 1 Rattus norvegicus 0.912
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.902
CHEMBL4409 Phosphodiesterase 10A Homo sapiens 0.876
CHEMBL241 Phosphodiesterase 3A Homo sapiens 0.749
CHEMBL3780 Small conductance calcium-activated potassium channel protein 3 Rattus norvegicus 0.560
CHEMBL3650 Fibroblast growth factor receptor 1 Homo sapiens 0.560
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.532
CHEMBL2288 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens 0.521
CHEMBL3759 Histamine H4 receptor Homo sapiens 0.470

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
201.3 201.0361 2.69 1 41.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.53 3.4 2.47 2.47 3 14 0.66

Structural Alerts

There are no structural alerts for CHEMBL625

Compound Cross References

ATC D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AC - Imidazole and triazole derivatives
D01AC06 - tiabendazole

P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P02 - ANTHELMINTICS
P02C - ANTINEMATODAL AGENTS
P02CA - Benzimidazole derivatives
P02CA02 - tiabendazole

FRAC B - MITOSIS AND CELL DIVISION
B1 - BETA-TUBULINE ASSEMBLY IN MITOSIS
B11 - MBC - FUNGICIDES (METHYL BENZIMIDAZOLE CARBAMATES)
B11A - BENZIMIDAZOLES
B11A4 - THIABENDAZOLE
ChemSpider ChemSpider:WJCNZQLZVWNLKY-UHFFFAOYSA-N
PubChem SID: 104171300 SID: 11112304 SID: 124882215 SID: 124882217 SID: 144203978 SID: 144209595 SID: 144211287 SID: 170464939 SID: 17389714 SID: 174006224 SID: 26746923 SID: 26751457 SID: 397296 SID: 4262837 SID: 481912
Wikipedia Tiabendazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL625



ACToR 123242-33-1
BindingDB 50121347
Brenda 8423
ChEBI 45979
ChemicalBook CB1685813
DrugBank DB00730
DrugCentral 2621
eMolecules 510269
EPA CompTox Dashboard DTXSID0021337
FDA SRS N1Q45E87DT
Guide to Pharmacology 7304
Human Metabolome Database HMDB0014868
IBM Patent System 10191DE30CA5F24F3325E6E1CB66E6A2
KEGG Ligand C07131
LINCS LSM-3741
Mcule MCULE-3720823189
MolPort MolPort-001-002-054
NIH Clinical Collection SAM002564239
Nikkaji J2.961K
PDBe TMG
PharmGKB PA164746466
PubChem 5430
PubChem: Thomson Pharma 15195537
Selleck Thiabendazole
SureChEMBL SCHEMBL19842
ZINC ZINC000000073711

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WJCNZQLZVWNLKY-UHFFFAOYSA-N spacer
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