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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1420
CHEMBL1420
Compound Name PRALIDOXIME
ChEMBL Synonyms Atnaa | Duodote | 2-PAM CHLORIDE | 2-PAM | PROTOPAM CHLORIDE | Contrathion | PRALIDOXIME MESYLATE | PRALIDOXIME | PRALIDOXIME CHLORIDE | Protopam | PRALIDOXIME IODIDE
Max Phase 4 (Approved)
Trade Names 2-Pam | Protopam | Contrathion | PRALIDOXIME CHLORIDE | Duodote | PROTOPAM CHLORIDE
Molecular Formula C7H9N2O+

Additional synonyms for CHEMBL1420 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[n+]1ccccc1C=NO
Standard InChI InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
Standard InChI Key JBKPUQTUERUYQE-UHFFFAOYSA-O

Sources

  • DrugMatrix
  • 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


CHEMBL1420

Molecule Features

CHEMBL1420 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
The Cochrane Collaboration PRALIDOXIME

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 CHEMBL1420. To view alerts please click here.

Compound Cross References

ATC V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AB - Antidotes
V03AB04 - pralidoxime

ChemSpider ChemSpider:JBKPUQTUERUYQE-UHFFFAOYSA-O
DailyMed pralidoxime chloride
PubChem SID: 11112108
Wikipedia Pralidoxime

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1420



ACToR 6735-59-7
BindingDB 234367
Brenda 66982
ChEBI 8354
DrugBank DB00733
DrugCentral 2231
EPA CompTox Dashboard DTXSID1044144
FDA SRS P7MU9UTP52
Guide to Pharmacology 4652 7597
Human Metabolome Database HMDB0014871
KEGG Ligand C07400
LINCS LSM-5708
Mcule MCULE-9475708961
MolPort MolPort-001-793-138
Nikkaji J232.003G
NMRShiftDB 20209502
PubChem 6789253
SureChEMBL SCHEMBL439968
ZINC ZINC000004577910

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