MEBENDAZOLE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC P02CA01
UNII 81G6I5V05I
EPA CompTox DTXSID4040682

Structure

InChI Key OPXLLQIJSORQAM-UHFFFAOYSA-N
Smiles COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1
InChI
InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H13N3O3
Molecular Weight 295.3
AlogP 2.97
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

Mechanism of Action Action Reference
Tubulin inhibitor INHIBITOR ISBN PubMed DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 15
Enzyme Protease Metallo protease Metallo protease MG clan Metallo protease M24A subfamily
- - - - 28.99
Enzyme
- 670 - - 15
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 99-159.55
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 99-159.55
Cryptosporidium parvum
- 920 - 440 -
Escherichia coli
- - - - 28.99-47
Giardia intestinalis
- 55-60 - - -
Homo sapiens
500-900 - - - -
Toxoplasma gondii
- 670 - 340 -

Cross References

Resources Reference
ChEBI 6704
ChEMBL CHEMBL685
DrugBank DB00643
DrugCentral 1641
FDA SRS 81G6I5V05I
Human Metabolome Database HMDB0014781
KEGG D00368
PharmGKB PA164776669
PubChem 4030
SureChEMBL SCHEMBL15860
ZINC ZINC000000121541
CONTENTS