ALBENDAZOLE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC P02CA03
UNII F4216019LN
EPA CompTox DTXSID0022563

Structure

InChI Key HXHWSAZORRCQMX-UHFFFAOYSA-N
Smiles CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1
InChI
InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15N3O2S
Molecular Weight 265.34
AlogP 3.24
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 67.01
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Tubulin inhibitor INHIBITOR ISBN PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MG clan Metallo protease M24A subfamily
- - - - 10-15.45
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 95.9-102.72
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 95.9-102.72
Escherichia coli
- - - - 15.45-35
Giardia intestinalis
- 37-277 - - -
Homo sapiens
580 - - - 10
Nippostrongylus brasiliensis
340-340 - - - -
Oryctolagus cuniculus
- 700 - - -
Staphylococcus aureus
- - - - 10.5

Related Entries

Cross References

Resources Reference
ChEBI 16664
ChEMBL CHEMBL1483
DrugBank DB00518
DrugCentral 103
FDA SRS F4216019LN
Human Metabolome Database HMDB0014659
KEGG C01779
PharmGKB PA164746058
PubChem 2082
SureChEMBL SCHEMBL44682
ZINC ZINC000017146904
CONTENTS