ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL17
CHEMBL17
Compound Name DICHLORPHENAMIDE
ChEMBL Synonyms Dichlorphenamide | KEVEYIS | ORATROL | DARANIDE | DICLOFENAMIDE
Max Phase 4 (Approved)
Trade Names KEVEYIS | DARANIDE | ORATROL
Molecular Formula C6H6Cl2N2O4S2

Additional synonyms for CHEMBL17 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(=O)(=O)N
Standard InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,1 ...
Download InChI
Standard InChI Key GJQPMPFPNINLKP-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL17

Molecule Features

CHEMBL17 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
Carbonic anhydrase I inhibitor Carbonic anhydrase I PubMed
Carbonic anhydrase II inhibitor Carbonic anhydrase II PubMed
Carbonic anhydrase IV inhibitor Carbonic anhydrase IV PubMed
Carbonic anhydrase XII inhibitor Carbonic anhydrase XII PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
GlaucomaD005901EFO:0000516glaucoma4ATC
Paralysis, Hyperkalemic PeriodicD020513Orphanet:682Hyperkalemic periodic paralysis3ClinicalTrials
Hypokalemic Periodic ParalysisD020514Orphanet:681Hypokalemic periodic paralysis3ClinicalTrials

Clinical Data

ClinicalTrials.gov DICHLORPHENAMIDE
The Cochrane Collaboration DICHLORPHENAMIDE

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 CHEMBL17. 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
CHEMBL205 Carbonic anhydrase II Homo sapiens 1.000
CHEMBL281 Carbonic anhydrase IV Bos taurus 1.000
CHEMBL3912 Carbonic anhydrase XIII Homo sapiens 1.000
CHEMBL261 Carbonic anhydrase I Homo sapiens 1.000
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 1.000
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 1.000
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 1.000
CHEMBL4211 Carbonic anhydrase 1 Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) 1.000
CHEMBL5337 Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) 1.000
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 1.000
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 1.000
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 1.000
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 1.000
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 1.000
CHEMBL5931 Carbonic anhydrase Saccharomyces cerevisiae S288c 1.000
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 1.000
CHEMBL2186 Carbonic anhydrase XIII Mus musculus 1.000
CHEMBL5631 Uncharacterized protein Rv1284/MT1322 Mycobacterium tuberculosis 1.000
CHEMBL4411 Prostaglandin E synthase 2 Homo sapiens 0.998
CHEMBL5767 PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) Mycobacterium tuberculosis 0.970



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL281 Carbonic anhydrase IV Bos taurus 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 1.000
CHEMBL261 Carbonic anhydrase I Homo sapiens 1.000
CHEMBL3912 Carbonic anhydrase XIII Homo sapiens 1.000
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 1.000
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 1.000
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 1.000
CHEMBL4211 Carbonic anhydrase 1 Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) 1.000
CHEMBL5631 Uncharacterized protein Rv1284/MT1322 Mycobacterium tuberculosis 1.000
CHEMBL5337 Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) 1.000
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 1.000
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 1.000
CHEMBL4411 Prostaglandin E synthase 2 Homo sapiens 1.000
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 1.000
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 1.000
CHEMBL5931 Carbonic anhydrase Saccharomyces cerevisiae S288c 1.000
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 1.000
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 1.000
CHEMBL2186 Carbonic anhydrase XIII Mus musculus 0.999
CHEMBL5767 PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) Mycobacterium tuberculosis 0.997

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
305.2 303.9146 0.29 2 120.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.95 - .34 .32 1 16 0.82

Structural Alerts

There are no structural alerts for CHEMBL17

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01E - ANTIGLAUCOMA PREPARATIONS AND MIOTICS
S01EC - Carbonic anhydrase inhibitors
S01EC02 - diclofenamide

ChemSpider ChemSpider:GJQPMPFPNINLKP-UHFFFAOYSA-N
DailyMed dichlorphenamide
PubChem SID: 11112264 SID: 144203952 SID: 56463645
Wikipedia Diclofenamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL17



ACToR 120-97-8
BindingDB 10883
Brenda 2228 2179 19502
ChEBI 101085
DrugBank DB01144
DrugCentral 864
eMolecules 1986513
EPA CompTox Dashboard DTXSID1022922
FDA SRS VVJ6673MHY
Guide to Pharmacology 6807
Human Metabolome Database HMDB0015275
IBM Patent System 093B9A7EA3719E2B98748C7D07826281
KEGG Ligand C07459
LINCS LSM-3602
Mcule MCULE-4570158631
MolPort MolPort-004-285-635
Nikkaji J8.589H
PDBe I7A
PharmGKB PA164745512
PubChem 3038
PubChem: Thomson Pharma 14898599
Selleck Dichlorphenamide(Diclofenamide)
SureChEMBL SCHEMBL112376
ZINC ZINC000000896918

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