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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201786
CHEMBL1201786
Compound Name LAPYRIUM
ChEMBL Synonyms LAPYRIUM CHLORIDE | LAPIRIUM CHLORIDE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C21H35N2O3

Additional synonyms for CHEMBL1201786 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1
Standard InChI InChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15- ...
Download InChI
Standard InChI Key UGJWZYARKOFRDB-UHFFFAOYSA-O

Sources

  • Orange Book
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1201786

Molecule Features

CHEMBL1201786 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available PubMed

Clinical Data

ClinicalTrials.gov LAPYRIUM
The Cochrane Collaboration LAPYRIUM

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
363.5 363.2648 5.11 16 59.28 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 1 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.38 - 2.37 2.37 1 26 0.25

Structural Alerts

There are 15 structural alerts for CHEMBL1201786. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UGJWZYARKOFRDB-UHFFFAOYSA-O
Wikipedia Lapyrium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201786



ChEBI 135534
DrugBank DB09376
DrugCentral 3314
EPA CompTox Dashboard DTXSID50148865
FDA SRS 5172AI8LRR
IBM Patent System C2DDBB02F05C04518D22F7E92B791DF5
Nikkaji J215.966J
PubChem 22660
ZINC ZINC000008214591

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