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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2105499
CHEMBL2105499
Compound Name SULFAPERIN
ChEMBL Synonyms ISOSULFAMERAZINE | SULFAPERIN
Max Phase 0
Trade Names
Molecular Formula C11H12N4O2S

Additional synonyms for CHEMBL2105499 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1
Standard InChI InChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-18(16,17)10-4-2- ...
Download InChI
Standard InChI Key DZQVFHSCSRACSX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2105499

Molecule Features

CHEMBL2105499 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SULFAPERIN
The Cochrane Collaboration SULFAPERIN

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 CHEMBL2105499. 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 0.995
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.993
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.940
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.919
CHEMBL301 Cyclin-dependent kinase 2 Homo sapiens 0.891
CHEMBL308 Cyclin-dependent kinase 1 Homo sapiens 0.312
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.292
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.243



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.985
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.975
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.936
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.805
CHEMBL301 Cyclin-dependent kinase 2 Homo sapiens 0.463
CHEMBL308 Cyclin-dependent kinase 1 Homo sapiens 0.445
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.290
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.243

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
6.94 1.58 .28 -.34 2 18 0.81

Structural Alerts

There are 4 structural alerts for CHEMBL2105499. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01E - SULFONAMIDES AND TRIMETHOPRIM
J01ED - Long-acting sulfonamides
J01ED06 - sulfaperin

ChemSpider ChemSpider:DZQVFHSCSRACSX-UHFFFAOYSA-N
PubChem SID: 170466624

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2105499



ACToR 599-88-2
ChEBI 131722
DrugCentral 2522
eMolecules 30083710
EPA CompTox Dashboard DTXSID2057782
FDA SRS W5E840UV9P
IBM Patent System 8A2F1BC8F868763CF4BF5DA9C01DABFF
Mcule MCULE-4737034358
MolPort MolPort-006-112-028
Nikkaji J9.442K
PubChem 68933
PubChem: Thomson Pharma 15045736
SureChEMBL SCHEMBL151755
ZINC ZINC000000002102

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