ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1483
CHEMBL1483
Compound Name ALBENDAZOLE
ChEMBL Synonyms Valbazen | ALBENDAZOLE | ALBENZA | ESKAZOLE | ZENTEL | SK&F-62979 | SK&F 62979 | Zental
Max Phase 4 (Approved)
Trade Names Valbazen | ALBENZA | Zental | ESKAZOLE | ZENTEL
Molecular Formula C12H15N3O2S

Additional synonyms for CHEMBL1483 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
Standard InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15- ...
Download InChI
Standard InChI Key HXHWSAZORRCQMX-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Drugs for Neglected Diseases Initiative (DNDi)
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1483

Molecule Features

CHEMBL1483 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Tubulin inhibitor Tubulin DailyMed ISBN PubMed
Tubulin inhibitor Tubulin DailyMed ISBN PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Hookworm InfectionsD006725EFO:0007314hookworm infectious disease2ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection3ClinicalTrials
HelminthiasisD006373EFO:1001342Helminthiasis2ClinicalTrials
CysticercosisD003551EFO:0007231cysticercosis3ClinicalTrials
InfectionD007239EFO:0000544infection2ClinicalTrials
Elephantiasis, FilarialD004605EFO:0007272filarial elephantiasis2ClinicalTrials
StrongyloidiasisD013322EFO:0007501strongyloidiasis3ClinicalTrials
OnchocerciasisD009855EFO:0007402onchocerciasis3ClinicalTrials
ToxocariasisD014120EFO:0007516toxocariasis3ClinicalTrials

Clinical Data

ClinicalTrials.gov ALBENDAZOLE
The Cochrane Collaboration ALBENDAZOLE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1483. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 1.000
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 0.775
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.329
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.283
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.281
CHEMBL3797 Serine-protein kinase ATM Homo sapiens 0.220



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 1.000
CHEMBL3658 Tubulin alpha chain Sus scrofa 0.920
CHEMBL5145 Serine/threonine-protein kinase B-raf Homo sapiens 0.572
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.405
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.251

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
265.3 265.0885 3.24 4 67.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.72 5.37 3 2.99 2 18 0.83

Structural Alerts

There are 1 structural alerts for CHEMBL1483. To view alerts please click here.

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P02 - ANTHELMINTICS
P02C - ANTINEMATODAL AGENTS
P02CA - Benzimidazole derivatives
P02CA03 - albendazole

ChemSpider ChemSpider:HXHWSAZORRCQMX-UHFFFAOYSA-N
DailyMed albendazole
PubChem SID: 11112790 SID: 124882630 SID: 124882632 SID: 144204210 SID: 144212617 SID: 170464897 SID: 26746999 SID: 855809
Wikipedia Albendazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1483



ACToR 54965-21-8
BindingDB 50241293
Brenda 3447 143835
ChEBI 16664
ChemicalBook CB0241320
DrugBank DB00518
DrugCentral 103
eMolecules 534226 31777221 1985404
EPA CompTox Dashboard DTXSID0022563
FDA SRS F4216019LN
Human Metabolome Database HMDB0014659
IBM Patent System 0E819CE52D5A75E07C56A3594D8714EE
KEGG Ligand C01779
LINCS LSM-3782
Mcule MCULE-5872469561
MolPort MolPort-000-726-929 MolPort-001-932-918 MolPort-000-760-571
NIH Clinical Collection SAM002589939
Nikkaji J11.391C
NMRShiftDB 20207369
PharmGKB PA164746058
PubChem 2082
PubChem: Drugs of the Future 12014008
PubChem: Thomson Pharma 16704067 14823901
Rhea 16664
Selleck Albendazole(Albenza)
SureChEMBL SCHEMBL44682
ZINC ZINC000017146904

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HXHWSAZORRCQMX-UHFFFAOYSA-N spacer
spacer