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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL152632
CHEMBL152632
Compound Name NIRIDAZOLE
ChEMBL Synonyms BA 32644 | NIRIDAZOLE
Max Phase 0
Trade Names
Molecular Formula C6H6N4O3S

Additional synonyms for CHEMBL152632 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)c1cnc(s1)N2CCNC2=O
Standard InChI InChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H ...
Download InChI
Standard InChI Key RDXLYGJSWZYTFJ-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL152632

Molecule Features

CHEMBL152632 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 NIRIDAZOLE
The Cochrane Collaboration NIRIDAZOLE

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 CHEMBL152632. 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
CHEMBL2564 Metabotropic glutamate receptor 5 Rattus norvegicus 0.878
CHEMBL1961783 Nuclear receptor subfamily 1 group D member 1 Homo sapiens 0.502
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.220

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2366408 Nicotinic acetylcholine receptor alpha 5 subunit Musca domestica 0.986
CHEMBL3012 Phosphodiesterase 7A Homo sapiens 0.542
CHEMBL1293222 Nucleotide-binding oligomerization domain-containing protein 1 Homo sapiens 0.420
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.280
CHEMBL5804 Toll-like receptor 9 Homo sapiens 0.241
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.220
CHEMBL1961783 Nuclear receptor subfamily 1 group D member 1 Homo sapiens 0.220
CHEMBL3880 Heat shock protein HSP 90-alpha Homo sapiens 0.216

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
214.2 214.0161 0.58 2 88.37 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.73 - .95 .95 1 14 0.58

Structural Alerts

There are 5 structural alerts for CHEMBL152632. To view alerts please click here.

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P02 - ANTHELMINTICS
P02B - ANTITREMATODALS
P02BX - Other antitrematodal agents
P02BX02 - niridazole

ChemSpider ChemSpider:RDXLYGJSWZYTFJ-UHFFFAOYSA-N
PubChem SID: 11112162 SID: 144203894 SID: 56463576

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL152632



ACToR 61-57-4
ChEBI 82349
DrugCentral 1941
eMolecules 35863601
EPA CompTox Dashboard DTXSID6045244
FDA SRS N116U8Y5QQ
IBM Patent System 7C6867AAE05C7D3582678772C459FAF7
KEGG Ligand C19268
LINCS LSM-3174
PubChem 6093
PubChem: Thomson Pharma 15266714
SureChEMBL SCHEMBL126396
ZINC ZINC000003875416

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