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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL32350
CHEMBL32350
Compound Name PIRLINDOLE
ChEMBL Synonyms Pirazidol | PIRLINDOLE
Max Phase 0
Trade Names
Molecular Formula C15H18N2

Additional synonyms for CHEMBL32350 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2c(c1)c3CCCC4NCCn2c34
Standard InChI InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17( ...
Download InChI
Standard InChI Key IWVRVEIKCBFZNF-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL32350

Molecule Features

CHEMBL32350 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 PIRLINDOLE
The Cochrane Collaboration PIRLINDOLE

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 CHEMBL32350. 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
CHEMBL2188 Purinergic receptor P2Y12 Rattus norvegicus 0.447

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.394

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
226.3 226.147 2.93 0 16.96 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.47 3.62 .83 2 17 0.73

Structural Alerts

There are no structural alerts for CHEMBL32350

Compound Cross References

ChemSpider ChemSpider:IWVRVEIKCBFZNF-UHFFFAOYSA-N
Wikipedia Pirlindole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL32350



ACToR 60762-57-4
Brenda 155200
ChEBI 91755
DrugBank DB09244
DrugCentral 2206
eMolecules 969316
EPA CompTox Dashboard DTXSID8048230
Guide to Pharmacology 6638
IBM Patent System 171311908CB23177C048332E7C91C7A2
LINCS LSM-1636
Mcule MCULE-7179575512
MolPort MolPort-001-779-680
Nikkaji J18.441A
PubChem 68802
PubChem: Thomson Pharma 14773711
SureChEMBL SCHEMBL373564

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