THIABENDAZOLE

Search structure
Trade Names:
Synonyms:
Status: Approved (1967)
Entry Type: Small molecule
Molecule Category: Parent
UNII: N1Q45E87DT

Structure
InChI Key WJCNZQLZVWNLKY-UHFFFAOYSA-N
Smile c1ccc2[nH]c(-c3cscn3)nc2c1
InChI
InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7N3S
Molecular Weight 201.25
AlogP 2.69
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 41.57
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tubulin inhibitor ISBN ISBN PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 14600 - - -
Enzyme Isomerase
- - 60000 - -
Enzyme Protease Metallo protease Metallo protease MG clan Metallo protease M24A subfamily
3400 44700 - - 28
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 77
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 55

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Infections and infestations
32.14
Nervous system disorders
32.14
General disorders and administration site conditions
28.57
Gastrointestinal disorders
7.14

Cross References

Resources Reference
CAS NUMBER 148-79-8
ChEBI 45979
ChEMBL CHEMBL625
DrugBank DB00730
DrugCentral 2621
EPA CompTox DTXSID0021337
FDA SRS N1Q45E87DT
Human Metabolome Database HMDB0014868
Guide to Pharmacology 7304
KEGG C07131
PDB TMG
PharmGKB PA164746466
PubChem 5430
SureChEMBL SCHEMBL19842
ZINC ZINC000000073711
CONTENTS