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Compound Detail

CHEMBL1788401

CYCLOBENDAZOLE
🧪 Phase II
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🧪 Phase II
COC(=O)Nc1nc2ccc(C(=O)C3CC3)cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1788401
Name CYCLOBENDAZOLE
Phase Phase II
Structure Type MOL
InChI Key OXLKOMYHDYVIDM-UHFFFAOYSA-N

Known Names

Ciclobendazol Ciclobendazole Cyclobendazole NSC-335307 R 17,147 R-17147
1
Targets
12
Activities
1
Assay Types
0
PK Parameters
1
Publications
6
Known Names
1
Indications

Molecular Properties

259.3
MW (Da)
2.33
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -bendazole
USAN Year 1974

Extended Properties

Molecular Formula C13H13N3O3
MW 259.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.99

Indications

Helminthiasis

ATC Classification

P02CA04
ciclobendazole
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTHELMINTICS

Activity Summary

IC50 12 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.81 6.4308 154.7 12

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 154.7 nM 6.81 PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... -
Unchecked IC50 = 155.6 nM 6.81 PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... -
Unchecked IC50 = 162.2 nM 6.79 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -
Unchecked IC50 = 173.5 nM 6.76 PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 296.9 nM 6.53 PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... -
Unchecked IC50 = 348.6 nM 6.46 PubChem BioAssay. nuclear beta catenin stimulation in WNT3A conditioned C2C12 ce... -
Unchecked IC50 = 402.4 nM 6.39 PubChem BioAssay. Increased chromatin condensation in HeLa cells-IC50. (Class ... -
Unchecked IC50 = 416.4 nM 6.38 PubChem BioAssay. Increased HeLa cells with 4N DNA content-IC50. (Class of ass... -
Unchecked IC50 = 417.3 nM 6.38 PubChem BioAssay. Increased HeLa cells with 2N DNA content-IC50. (Class of ass... -
Unchecked IC50 = 683.6 nM 6.17 PubChem BioAssay. alkaline phosphatase stimulation in WNT3A conditioned C2C12 ce... -
Unchecked IC50 = 1191.4 nM 5.92 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
Unchecked IC50 = 1682.3 nM 5.77 PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4651402 SARS-CoV-2 2

Data from ChEMBL 36 via Core Engine