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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1192678
CHEMBL1192678
Compound Name PIQUINDONE
ChEMBL Synonyms RO 22-1319/003 | PIQUINDONE HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C15H22N2O

Additional synonyms for CHEMBL1192678 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1c(C)[nH]c2CC3CCN(C)CC3C(=O)c12
Standard InChI InChI=1S/C15H22N2O/c1-4-11-9(2)16-13-7-10-5-6-17(3)8-12(10)1 ...
Download InChI
Standard InChI Key PVZMYDPRVUCJKV-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1192678

Molecule Features

CHEMBL1192678 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PIQUINDONE
The Cochrane Collaboration PIQUINDONE

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
246.4 246.1732 2.19 1 36.1 BASE


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
- 9.4 -.65 -2.56 1 18 0.82

Structural Alerts

There are 1 structural alerts for CHEMBL1192678. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PVZMYDPRVUCJKV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1192678



IBM Patent System 5D3BF0F85FC596C3492856D280C3678A
PubChem 5249961
SureChEMBL SCHEMBL10666245

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