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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL18
CHEMBL18
Compound Name ETHOXZOLAMIDE
ChEMBL Synonyms ETHAMIDE | Ethoxzolamide | CARDRASE
Max Phase 4 (Approved)
Trade Names CARDRASE | ETHAMIDE
Molecular Formula C9H10N2O3S2

Additional synonyms for CHEMBL18 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccc2nc(sc2c1)S(=O)(=O)N
Standard InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,1 ...
Download InChI
Standard InChI Key OUZWUKMCLIBBOG-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL18

Molecule Features

CHEMBL18 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:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Carbonic anhydrase inhibitor Carbonic anhydrase PubMed

Clinical Data

ClinicalTrials.gov ETHOXZOLAMIDE
The Cochrane Collaboration ETHOXZOLAMIDE

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 CHEMBL18. 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
CHEMBL261 Carbonic anhydrase I Homo sapiens 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 1.000
CHEMBL281 Carbonic anhydrase IV Bos taurus 1.000
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 1.000
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 1.000
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 1.000
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 1.000
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.998
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 0.998
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.994
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.984
CHEMBL3912 Carbonic anhydrase XIII Homo sapiens 0.967
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.965
CHEMBL5247 Serine/threonine-protein kinase ILK-1 Homo sapiens 0.874
CHEMBL4211 Carbonic anhydrase 1 Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) 0.869
CHEMBL1944499 Astrosclerin-3 Astrosclera willeyana 0.829
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.659
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.563
CHEMBL2186 Carbonic anhydrase XIII Mus musculus 0.326
CHEMBL3667 PI4-kinase alpha subunit Homo sapiens 0.245



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL205 Carbonic anhydrase II Homo sapiens 1.000
CHEMBL281 Carbonic anhydrase IV Bos taurus 1.000
CHEMBL261 Carbonic anhydrase I Homo sapiens 1.000
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 1.000
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 1.000
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 1.000
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.999
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.998
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.998
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.993
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.979
CHEMBL2186 Carbonic anhydrase XIII Mus musculus 0.961
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.939
CHEMBL3912 Carbonic anhydrase XIII Homo sapiens 0.882
CHEMBL4211 Carbonic anhydrase 1 Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) 0.751
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.735
CHEMBL1944499 Astrosclerin-3 Astrosclera willeyana 0.684
CHEMBL5247 Serine/threonine-protein kinase ILK-1 Homo sapiens 0.605
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.484
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.468

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
258.3 258.0133 1.49 3 118.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.41 - 2.14 2.12 2 16 0.9

Structural Alerts

There are no structural alerts for CHEMBL18

Compound Cross References

ChemSpider ChemSpider:OUZWUKMCLIBBOG-UHFFFAOYSA-N
PubChem SID: 144204399 SID: 170465083 SID: 56422188 SID: 855751
Wikipedia Ethoxzolamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL18



ACToR 452-35-7
BindingDB 10882
Brenda 643 33838 4888 39595 129847 26714
ChEBI 101096
DrugBank DB00311
DrugCentral 1089
eMolecules 498393
EPA CompTox Dashboard DTXSID1023021
FDA SRS Z52H4811WX
Guide to Pharmacology 6814
Human Metabolome Database HMDB0014456
IBM Patent System 167367A450A3D79F75976B79009920E8
LINCS LSM-18787
Mcule MCULE-3766215049
Nikkaji J5.754A
NMRShiftDB 20033074
PDBe EZL
PharmGKB PA164754743
PubChem 3295
PubChem: Drugs of the Future 57304388
PubChem: Thomson Pharma 15213608
SureChEMBL SCHEMBL63941
ZINC ZINC000000056721

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