OXFENDAZOLE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
UNII: OMP2H17F9E

Structure
InChI Key BEZZFPOZAYTVHN-UHFFFAOYSA-N
Smile COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1
InChI
InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13N3O3S
Molecular Weight 315.35
AlogP 2.91
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 84.08
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tubulin inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0.2936
Enzyme Transferase
- - - - 0
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -21.58--0.82
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- 1504 - 844 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 114.17

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Trichuriasis 2 D014257 ClinicalTrials
Helminthiasis 2 D006373 ClinicalTrials
Fascioliasis 2 D005211 ClinicalTrials
Infections 2 D007239 ClinicalTrials
Taeniasis 1 D013622 ClinicalTrials
Cysticercosis 1 D003551 ClinicalTrials
Filariasis 1 D005368 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 53716-50-0
ChEBI 35812
ChEMBL CHEMBL42442
DrugBank DB11446
EPA CompTox DTXSID9044112
FDA SRS OMP2H17F9E
Human Metabolome Database HMDB31812
PubChem 40854
SureChEMBL SCHEMBL44121
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