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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1242
CHEMBL1242
Compound Name PHENAZOPYRIDINE
ChEMBL Synonyms W 1655 | PYRIDIUM | PHENAZOPYRIDINE HYDROCHLORIDE | NC 150 | UROPYRINE | PHENAZOPYRIDINE
Max Phase 4 (Approved)
Trade Names UROPYRINE | PYRIDIUM
Molecular Formula C11H11N5

Additional synonyms for CHEMBL1242 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(N=Nc2ccccc2)c(N)n1
Standard InChI InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5 ...
Download InChI
Standard InChI Key QPFYXYFORQJZEC-FOCLMDBBSA-N

Sources

  • 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


CHEMBL1242

Molecule Features

CHEMBL1242 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
Sodium channel alpha subunit blocker Sodium channel alpha subunit DailyMed PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PainD010146EFO:0003843pain3ClinicalTrials
Urinary Tract InfectionsD014552EFO:0003103urinary tract infection3ClinicalTrials
DysuriaD053159EFO:0003901dysuria3ClinicalTrials
ClinicalTrials
Urinary RetentionD016055HP:0000016Urinary retention3ClinicalTrials

Clinical Data

ClinicalTrials.gov PHENAZOPYRIDINE
The Cochrane Collaboration PHENAZOPYRIDINE

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 CHEMBL1242. 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
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.203

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2135 P2X purinoceptor 2 Rattus norvegicus 0.935
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.638
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.601
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.308
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.269
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.264

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
213.2 213.1014 2.66 2 89.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.49 2.21 2.21 2 16 0.75

Structural Alerts

There are 8 structural alerts for CHEMBL1242. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G04 - UROLOGICALS
G04B - UROLOGICALS
G04BX - Other urologicals
G04BX06 - phenazopyridine

ChemSpider ChemSpider:QPFYXYFORQJZEC-FOCLMDBBSA-N
DailyMed phenazopyridine hydrochloride
PubChem SID: 104171363
Wikipedia Phenazopyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1242



BindingDB 50420356
DrugBank DB01438
DrugCentral 2120
eMolecules 741130
FDA SRS K2J09EMJ52
Human Metabolome Database HMDB0015506
KEGG Ligand C07429
Mcule MCULE-8651148583
MolPort MolPort-001-792-518
Nikkaji J4.703A
PubChem: Thomson Pharma 14748951
SureChEMBL SCHEMBL253232
ZINC ZINC000095483532

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