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Compound Detail

CHEMBL42442

OXFENDAZOLE
🧪 Phase II
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🧪 Phase II
COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL42442
Name OXFENDAZOLE
Phase Phase II
Structure Type MOL
InChI Key BEZZFPOZAYTVHN-UHFFFAOYSA-N

Known Names

NSC-758943 Oxfendazol Oxfendazole RS-8858 Synanthic
2
Targets
12
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
7
Indications
2
Mechanisms

Molecular Properties

315.4
MW (Da)
2.91
ALogP
4
HBA
2
HBD
90.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 1976

Extended Properties

Molecular Formula C15H13N3O3S
MW 315.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.64

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Tubulin inhibitor INHIBITOR Tubulin ✓ ✓
Tubulin inhibitor INHIBITOR Tubulin ✓ ✓

Indications

Fascioliasis Helminthiasis Infections Trichuriasis Cysticercosis Filariasis Taeniasis

Activity Summary

IC50 11 meas. best 9.0
Ki 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.0 7.23 1.0 10
Adenosine receptor A2a
CHEMBL251
 Ki 6.07 6.07 844.0 1
Adenosine receptor A2a
CHEMBL251
 IC50 5.82 5.82 1504.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1.0 nM 9.0 PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... -
Unchecked IC50 = 1.0 nM 9.0 PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 1.0 nM 9.0 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -
Unchecked IC50 = 241.1 nM 6.62 PubChem BioAssay. Increased chromatin condensation in HeLa cells-IC50. (Class ... -
Unchecked IC50 = 257.5 nM 6.59 PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... -
Unchecked IC50 = 288.4 nM 6.54 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
Unchecked IC50 = 326.3 nM 6.49 PubChem BioAssay. Increased HeLa cells with 2N DNA content-IC50. (Class of ass... -
Unchecked IC50 = 331.0 nM 6.48 PubChem BioAssay. Increased HeLa cells with 4N DNA content-IC50. (Class of ass... -
Unchecked IC50 = 468.3 nM 6.33 PubChem BioAssay. nuclear beta catenin stimulation in WNT3A conditioned C2C12 ce... -
Unchecked IC50 = 559.3 nM 6.25 PubChem BioAssay. alkaline phosphatase stimulation in WNT3A conditioned C2C12 ce... -
Adenosine receptor A2a Ki = 844.0 nM 6.07 DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) -
Adenosine receptor A2a IC50 = 1504.0 nM 5.82 DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 295
2033588 10.1021/jm00109a015 Heligmosomoides polygyrus 3
15703302 10.1124/dmd.104.003319 Broad substrate specificity ATP-binding cassette transporter ABCG2 3
1956049 10.1021/jm00115a020 Rodentolepis nana 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
19939518 10.1016/j.ejmech.2009.10.025 Hematopoietic prostaglandin D synthase 2
1956049 10.1021/jm00115a020 Heligmosomoides polygyrus 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
23122865 10.1016/j.bmcl.2012.10.010 Indoleamine 2,3-dioxygenase 2 1
- 10.6019/CHEMBL4513161 Candida albicans 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
- 10.6019/CHEMBL4513161 Escherichia coli 1

Data from ChEMBL 36 via Core Engine