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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2105330
CHEMBL2105330
Compound Name PYRAZOFURIN
ChEMBL Synonyms 47599 | PYRAZOFURIN | PIRAZOFURIN
Max Phase 0
Trade Names
Molecular Formula C9H13N3O6

Additional synonyms for CHEMBL2105330 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1[nH]nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O
Standard InChI InChI=1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1 ...
Download InChI
Standard InChI Key XESARGFCSKSFID-FLLFQEBCSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2105330

Molecule Features

CHEMBL2105330 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PYRAZOFURIN
The Cochrane Collaboration PYRAZOFURIN

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 CHEMBL2105330. 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
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 0.999
CHEMBL1910 Adenosine deaminase Homo sapiens 0.998
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 0.990
CHEMBL2966 Adenosine deaminase Bos taurus 0.961
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.931
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 0.559
CHEMBL4081 Coagulation factor III Homo sapiens 0.400
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 0.322
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 0.226
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 0.222



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 1.000
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL2966 Adenosine deaminase Bos taurus 1.000
CHEMBL2284 Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL1910 Adenosine deaminase Homo sapiens 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 1.000
CHEMBL5921 Bifunctional protein NCOAT Homo sapiens 0.995
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.991
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 0.983
CHEMBL3318 Tyrosinase Agaricus bisporus 0.977
CHEMBL2870 Methionyl-tRNA synthetase Homo sapiens 0.971
CHEMBL2982 Adenosine kinase Toxoplasma gondii 0.922
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 0.865
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.749
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.694
CHEMBL5524 Protein-arginine N-methyltransferase 1 Homo sapiens 0.561
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 0.558
CHEMBL3740 Poly [ADP-ribose] polymerase-1 Mus musculus 0.517
CHEMBL5401 Signal transducer and activator of transcription 6 Homo sapiens 0.436

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
259.2 259.0804 -2.63 3 161.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 6 1 9 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.17 .55 -1.75 -2.18 1 18 0.35

Structural Alerts

There are no structural alerts for CHEMBL2105330

Compound Cross References

ChemSpider ChemSpider:XESARGFCSKSFID-FLLFQEBCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2105330



ChEBI 90284
eMolecules 10191479
FDA SRS 4B15044GQZ
IBM Patent System 5B4BA8E94E63C706B43407960E729B83
Nikkaji J20.396C
PubChem 35595
PubChem: Drugs of the Future 12015508
PubChem: Thomson Pharma 14823690
SureChEMBL SCHEMBL4860
ZINC ZINC000004217381

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