MEBENDAZOLE

Search structure
Trade Names:
Synonyms:
Status: Approved (1974)
Entry Type: Small molecule
Molecule Category: Parent
ATC: P02CA01
UNII: 81G6I5V05I

Structure
InChI Key OPXLLQIJSORQAM-UHFFFAOYSA-N
Smile COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[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

Action Mechanism of Action Reference
INHIBITOR Tubulin inhibitor ISBN PubMed DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 5000 - 4600 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 3600-8800 - - -
Enzyme Oxidoreductase
- - - - 15
Enzyme Protease Metallo protease Metallo protease MG clan Metallo protease M24A subfamily
- - - - 29
Enzyme
- 3600-8800 - 4600 15
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 160
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 15500 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 3 D015179 ClinicalTrials
Necatoriasis 3 D009332 ClinicalTrials
Anemia 3 D000740 ClinicalTrials
Hookworm Infections 2 D006725 ClinicalTrials
Pruritus 2 D011537 ClinicalTrials
Glioma 1 D005910 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
18.06
Gastrointestinal disorders
14.24
Injury, poisoning and procedural complications
12.5
Skin and subcutaneous tissue disorders
7.64
Nervous system disorders
6.94
Infections and infestations
5.38
Hepatobiliary disorders
3.99
Psychiatric disorders
3.99
Vascular disorders
3.65
Immune system disorders
2.95
Pregnancy, puerperium and perinatal conditions
2.95
Musculoskeletal and connective tissue disorders
2.6
Investigations
2.26

Cross References

Resources Reference
CAS NUMBER 31431-39-7
ChEBI 6704
ChEMBL CHEMBL685
DrugBank DB00643
DrugCentral 1641
EPA CompTox DTXSID4040682
FDA SRS 81G6I5V05I
Human Metabolome Database HMDB0014781
KEGG D00368
PharmGKB PA164776669
PubChem 4030
SureChEMBL SCHEMBL15860
ZINC ZINC000000121541
CONTENTS