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Compound Detail

CHEMBL1086440

TRICLABENDAZOLE
💊 Approved Drug
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💊 Approved Drug
CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1

Basic Information

ChEMBL ID CHEMBL1086440
Name TRICLABENDAZOLE
Phase Approved
Structure Type MOL
InChI Key NQPDXQQQCQDHHW-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

EGA230B Egaten Egaten tm Fasinex NSC-759250 NVP-EGA230 Triclabendazol Triclabendazole
6
Targets
9
Activities
2
Assay Types
1
PK Parameters
20
Publications
8
Known Names
2
Indications
1
Mechanisms

Molecular Properties

359.7
MW (Da)
6.04
ALogP
3
HBA
1
HBD
37.9
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2019
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -bendazole
USAN Year 2017

Extended Properties

Molecular Formula C14H9Cl3N2OS
MW 359.67
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.61

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Unknown - -

Indications

Fascioliasis Helminthiasis

ATC Classification

P02BX04
triclabendazole
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTHELMINTICS

Activity Summary

EC50 5 meas. best 5.64
IC50 4 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.64 5.64 2263.0 1
Streptokinase A
CHEMBL1293228
EC50 5.53 5.43 2925.0 2
Transthyretin
CHEMBL3194
IC50 5.46 5.46 3500.0 1
Streptococcus
CHEMBL612313
EC50 5.21 5.21 6223.0 1
Cruzipain
CHEMBL3563
IC50 4.82 4.82 15000.0 1
Unchecked
CHEMBL612545
IC50 4.43 4.335 37270.0 2
Unchecked
CHEMBL612545
EC50 4.36 4.36 43880.0 1

Pharmacokinetic Data

Parameter Value Units Species
Tmax 2.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
34547896 10.1021/acs.jmedchem.1c00823 Transthyretin 10
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
25455496 10.1016/j.bmcl.2014.10.017 Fasciola hepatica 6
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
20430484 10.1016/j.ejmech.2010.03.050 Trichinella spiralis 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
20426472 10.1021/jm100254w Cruzipain 2
25455496 10.1016/j.bmcl.2014.10.017 No relevant target 2
20426472 10.1021/jm100254w No relevant target 2
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
34547896 10.1021/acs.jmedchem.1c00823 ADMET 1

Data from ChEMBL 36 via Core Engine