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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL455
CHEMBL455
Compound Name SULFACETAMIDE
ChEMBL Synonyms Sulfacel | SULPHACETAMIDE | Ocusulf | Sulfair-15 | Sulfacel-15 | FML-S | SODIUM SULFACETAMIDE | Bleph-10 | Klaron | Sulten-10 | BLEPH-30 | KLARON | SULF-15 | SULFACEL-15 | SULFAIR 10 | Bleph-30 | Cetamide | SULFACETAMIDE SODIUM | CETAMIDE | OCUSOL | SULFACETAMIDE | OCUSULF-10 | SODIUM SULAMYD | SULF-10 | Ocusulf-10 | Ocusulf-30 | Sulster | ALBUCID | SULFACETAMIDE (TRIPLE SULFA) | NOVACET | BLEPH-10 | SULTEN-10 | SULFAIR FORTE | ISOPTO CETAMIDE | Bleph | SULFAIR-15 | OCUSULF-30
Max Phase 4 (Approved)
Trade Names ALBUCID | OCUSULF-10 | SODIUM SULAMYD | SULF-10 | CETAMIDE | Bleph | OCUSULF-30 | SULFAIR-15 | BLEPH-10 | ISOPTO CETAMIDE | NOVACET | SULFAIR FORTE | SULTEN-10 | Ocusulf | SODIUM SULFACETAMIDE | Bleph-10 | Sulfacel | Klaron | BLEPH-30 | Cetamide | KLARON | SULF-15 | SULFACEL-15 | SULFAIR 10 | OCUSOL | SULFACETAMIDE SODIUM
Molecular Formula C8H10N2O3S

Additional synonyms for CHEMBL455 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NS(=O)(=O)c1ccc(N)cc1
Standard InChI InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5 ...
Download InChI
Standard InChI Key SKIVFJLNDNKQPD-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


CHEMBL455

Molecule Features

CHEMBL455 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial dihydropteroate synthase inhibitor Bacterial dihydropteroate synthase KEGG PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
Acne VulgarisD000152EFO:0003894acne4FDA

Clinical Data

ClinicalTrials.gov SULFACETAMIDE
The Cochrane Collaboration SULFACETAMIDE

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 CHEMBL455. 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
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 1.000
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 1.000
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 1.000
CHEMBL261 Carbonic anhydrase I Homo sapiens 1.000
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 1.000
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.999
CHEMBL4211 Carbonic anhydrase 1 Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) 0.996
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.995
CHEMBL5631 Uncharacterized protein Rv1284/MT1322 Mycobacterium tuberculosis 0.993
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.988
CHEMBL3869 Matrix metalloproteinase 14 Homo sapiens 0.982
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.975
CHEMBL5337 Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) 0.967
CHEMBL2186 Carbonic anhydrase XIII Mus musculus 0.943
CHEMBL321 Matrix metalloproteinase 9 Homo sapiens 0.936
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.919
CHEMBL4588 Matrix metalloproteinase 8 Homo sapiens 0.911
CHEMBL5767 PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) Mycobacterium tuberculosis 0.902
CHEMBL4685 Indoleamine 2,3-dioxygenase Homo sapiens 0.878



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 1.000
CHEMBL261 Carbonic anhydrase I Homo sapiens 1.000
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 1.000
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 1.000
CHEMBL5631 Uncharacterized protein Rv1284/MT1322 Mycobacterium tuberculosis 0.999
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.999
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.996
CHEMBL4211 Carbonic anhydrase 1 Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) 0.995
CHEMBL5767 PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) Mycobacterium tuberculosis 0.994
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.991
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.983
CHEMBL3975 Fructose-1,6-bisphosphatase Homo sapiens 0.960
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.919
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 0.916
CHEMBL3869 Matrix metalloproteinase 14 Homo sapiens 0.907
CHEMBL321 Matrix metalloproteinase 9 Homo sapiens 0.895
CHEMBL5337 Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) 0.894
CHEMBL4588 Matrix metalloproteinase 8 Homo sapiens 0.863
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.837

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
214.3 214.0412 0.09 2 89.26 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.43 .93 -.96 -2.52 1 14 0.68

Structural Alerts

There are 4 structural alerts for CHEMBL455. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01A - ANTIINFECTIVES
S01AB - Sulfonamides
S01AB04 - sulfacetamide

D - DERMATOLOGICALS
D10 - ANTI-ACNE PREPARATIONS
D10A - ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AF - Antiinfectives for treatment of acne
D10AF06 - sulfacetamide

ChemSpider ChemSpider:SKIVFJLNDNKQPD-UHFFFAOYSA-N
DailyMed sulfacetamide sodium
PubChem SID: 144204397 SID: 144209197 SID: 144213417 SID: 170464944 SID: 17388721 SID: 56422206 SID: 855639
Wikipedia Sulfacetamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL455



ACToR 144-80-9 127-56-0
BindingDB 50316126
Brenda 23508 37706
ChEBI 63845
DrugBank DB00634
DrugCentral 2497
eMolecules 511811
EPA CompTox Dashboard DTXSID8026060
FDA SRS 4965G3J0F5
Human Metabolome Database HMDB0014772
IBM Patent System 08FFC35941D853A7848E34A0365E1392
LINCS LSM-5374
Mcule MCULE-7029640696
MolPort MolPort-000-900-614
NIH Clinical Collection SAM002554931
Nikkaji J8.635E
PharmGKB PA451536
PubChem 5320
PubChem: Thomson Pharma 15121271
SureChEMBL SCHEMBL40863
ZINC ZINC000005179119

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