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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL748
CHEMBL748
Compound Name PRALIDOXIME CHLORIDE
ChEMBL Synonyms PRALIDOXIME CHLORIDE | Protopam | Duodote | Contrathion | 2-PAM CHLORIDE | 2-PAM | PRALIDOXIME | PROTOPAM CHLORIDE
Max Phase 4 (Approved)
Trade Names 2-Pam | Contrathion | Duodote | PRALIDOXIME CHLORIDE | PROTOPAM CHLORIDE | Protopam
Molecular Formula C7H9ClN2O

Additional synonyms for CHEMBL748 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].C[n+]1ccccc1\C=N\O
Standard InChI InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
Standard InChI Key HIGSLXSBYYMVKI-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL748

Molecule Features

CHEMBL748 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Acetylcholinesterase activator Acetylcholinesterase DailyMed KEGG

Clinical Data

ClinicalTrials.gov PRALIDOXIME CHLORIDE
The Cochrane Collaboration PRALIDOXIME CHLORIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
137.2 137.0709 0.32 1 36.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.98 - -2.46 -2.25 1 10 0.26

Structural Alerts

There are 9 structural alerts for CHEMBL748. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HIGSLXSBYYMVKI-UHFFFAOYSA-N
DailyMed pralidoxime chloride
PubChem SID: 11533058 SID: 144203867 SID: 170465059 SID: 56422221

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL748



ACToR 51-15-0
Brenda 197829 147150 9855
ChEBI 8355
eMolecules 711932 30520739
EPA CompTox Dashboard DTXSID1023495
FDA SRS 38X7XS076H 8ZGS5FTO5L
Mcule MCULE-2476744627
MolPort MolPort-003-666-693 MolPort-004-440-359
PubChem 45006123
PubChem: Thomson Pharma 15321935
SureChEMBL SCHEMBL61419

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