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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL438
CHEMBL438
Compound Name SULFAMERAZINE
ChEMBL Synonyms SULFAMERAZINE SODIUM [INJECTION] | Methypyrimal | SULFAMERAZINE SODIUM | Sulfamethyldiazine | Mesulfa | Sumedin | SULFAMERAZINE | SULFAMERAZINE (TRISULFAPYRIMIDINES)
Max Phase 4 (Approved)
Trade Names Mesulfa | Methypyrimal | Sumedin | Sulfamethyldiazine
Molecular Formula C11H12N4O2S

Additional synonyms for CHEMBL438 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1
Standard InChI InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2- ...
Download InChI
Standard InChI Key QPPBRPIAZZHUNT-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • DrugMatrix
  • 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


CHEMBL438

Molecule Features

CHEMBL438 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
Bacterial dihydropteroate synthase inhibitor Bacterial dihydropteroate synthase PubMed PubMed PubMed

Clinical Data

ClinicalTrials.gov SULFAMERAZINE
The Cochrane Collaboration SULFAMERAZINE

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 CHEMBL438. 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 0.998
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.988
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.983
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.957
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.922
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.890
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.806
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.771
CHEMBL301 Cyclin-dependent kinase 2 Homo sapiens 0.748
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.543
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.293



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.995
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.973
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.964
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.930
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.841
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.821
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.529
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.513
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.471
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.419

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
264.3 264.0681 1.17 3 97.97 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.35 1.58 .11 -.25 2 18 0.81

Structural Alerts

There are 4 structural alerts for CHEMBL438. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D06 - ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
D06B - CHEMOTHERAPEUTICS FOR TOPICAL USE
D06BA - Sulfonamides
D06BA06 - sulfamerazine

J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01E - SULFONAMIDES AND TRIMETHOPRIM
J01ED - Long-acting sulfonamides
J01ED07 - sulfamerazine

ChemSpider ChemSpider:QPPBRPIAZZHUNT-UHFFFAOYSA-N
PubChem SID: 11112279 SID: 124882173 SID: 14742044 SID: 170464738 SID: 26748261 SID: 50086854
Wikipedia Sulfamerazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL438



ACToR 127-79-7
Brenda 15975
ChEBI 102130
ChemicalBook CB0693512
DrugBank DB01581
DrugCentral 2510
eMolecules 474306
EPA CompTox Dashboard DTXSID0023612
FDA SRS UR1SAB295F
Human Metabolome Database HMDB0015521
IBM Patent System 7D801A357D2810A72056CE7033891E9F
LINCS LSM-5979
Mcule MCULE-7699685177
MolPort MolPort-001-783-537
Nikkaji J5.402J
PharmGKB PA164776842
PubChem 5325
PubChem: Thomson Pharma 14799063
Selleck sulfamerazine
SureChEMBL SCHEMBL33999
ZINC ZINC000000057501

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