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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1619528
CHEMBL1619528
Compound Name PIPENZOLATE
ChEMBL Synonyms PIPENZOLONE BROMIDE | PIPENZOLATE BROMIDE | PIPTAL | PIPENZOLATE METHYLBROMIDE | PIPENZOLATE
Max Phase 4 (Approved)
Trade Names PIPTAL
Molecular Formula C22H28NO3

Additional synonyms for CHEMBL1619528 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(2 ...
Download InChI
Standard InChI Key WPUKUEMZZRVAKZ-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1619528

Molecule Features

CHEMBL1619528 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov PIPENZOLATE
The Cochrane Collaboration PIPENZOLATE

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 CHEMBL1619528. 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
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 1.000
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.999
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.998
CHEMBL1741179 Probable DNA dC->dU-editing enzyme APOBEC-3A Homo sapiens 0.996
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.225

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
354.5 354.2069 2.24 6 46.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.19 - -.57 -.57 2 26 0.64

Structural Alerts

There are 4 structural alerts for CHEMBL1619528. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A03 - DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03A - DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03AB - Synthetic anticholinergics, quaternary ammonium compounds
A03AB14 - pipenzolate

ChemSpider ChemSpider:WPUKUEMZZRVAKZ-UHFFFAOYSA-N
Wikipedia Pipenzolate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1619528



ACToR 13473-38-6
ChEBI 95178
DrugCentral 2185
EPA CompTox Dashboard DTXSID9048481
IBM Patent System C49B01B772CF9221BAEFAEA54E9CE52D
LINCS LSM-6459
Nikkaji J8.119A
PubChem 4832

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