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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL700
CHEMBL700
Compound Name SULFAPYRIDINE
ChEMBL Synonyms SULPHAPYRIDINE | Sulfanilamidopyridine | Eubasin | Coccoclase | DAGENAN | Piridazol | SULFAPYRIDINE SODIUM | SULFAPYRIDINE | CONCORD 693
Max Phase 4 (Approved)
Trade Names Piridazol | DAGENAN | Coccoclase | Eubasin | Sulfanilamidopyridine | CONCORD 693 | SULFAPYRIDINE
Molecular Formula C11H11N3O2S

Additional synonyms for CHEMBL700 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2
Standard InChI InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2 ...
Download InChI
Standard InChI Key GECHUMIMRBOMGK-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


CHEMBL700

Molecule Features

CHEMBL700 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 ISBN

Clinical Data

ClinicalTrials.gov SULFAPYRIDINE
The Cochrane Collaboration SULFAPYRIDINE

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 CHEMBL700. 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
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.999
CHEMBL2736 Metabotropic glutamate receptor 4 Homo sapiens 0.984
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.939
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.908
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.906
CHEMBL6120 Solute carrier family 22 member 12 Homo sapiens 0.894
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.656
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.617
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.537
CHEMBL301 Cyclin-dependent kinase 2 Homo sapiens 0.305
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.301
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.283



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.998
CHEMBL6120 Solute carrier family 22 member 12 Homo sapiens 0.978
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.933
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.929
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.905
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.808
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.804
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.668
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.631
CHEMBL2736 Metabotropic glutamate receptor 4 Homo sapiens 0.608
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.450
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.314
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.259

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
249.3 249.0572 1.46 3 85.08 NEUTRAL


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
8.54 2.13 .47 .41 2 17 0.81

Structural Alerts

There are 4 structural alerts for CHEMBL700. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01E - SULFONAMIDES AND TRIMETHOPRIM
J01EB - Short-acting sulfonamides
J01EB04 - sulfapyridine

ChemSpider ChemSpider:GECHUMIMRBOMGK-UHFFFAOYSA-N
PubChem SID: 11112302 SID: 144203977 SID: 170464707 SID: 26746948 SID: 855656
Wikipedia Sulfapyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL700



ACToR 144-83-2
BindingDB 39340
Brenda 12698
ChEBI 132842
ChemicalBook CB8423160
DrugBank DB00891
DrugCentral 2524
eMolecules 511929
EPA CompTox Dashboard DTXSID3026067
FDA SRS Y5V2N1KE8U
Human Metabolome Database HMDB0015028
IBM Patent System 18BCF8117E639BC2978963F9B6D92DC0
LINCS LSM-5531
Mcule MCULE-7911106459
MolPort MolPort-000-883-306
Nikkaji J5.831I
NMRShiftDB 20202461
PDBe SFY
PharmGKB PA164779050
PubChem 5336
PubChem: Thomson Pharma 15221159
Selleck Sulfapyridine(Dagenan)
SureChEMBL SCHEMBL44219
ZINC ZINC000000002105

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