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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201027
CHEMBL1201027
Compound Name GLYCOPYRROLATE
ChEMBL Synonyms CUVPOSA | ROBINUL | SEEBRI | SIALANAR | GLYCOPYRRONIUM BROMIDE | ROBINUL FTE | AHR-504 | GLYCOPYRROLATE | GLYCOPYRRONE BROMIDE | ROBINUL FORTE
Max Phase 4 (Approved)
Trade Names CUVPOSA | GLYCOPYRROLATE | ROBINUL | ROBINUL FORTE | ROBINUL FTE | SEEBRI | SIALANAR
Molecular Formula C19H28BrNO3

Additional synonyms for CHEMBL1201027 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3
Standard InChI InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22 ...
Download InChI
Standard InChI Key VPNYRYCIDCJBOM-UHFFFAOYSA-M

Sources

  • British National Formulary
  • 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


CHEMBL1201027

Molecule Features

CHEMBL1201027 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:Y Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscarinic acetylcholine receptor M1 antagonist Muscarinic acetylcholine receptor M1 DailyMed ISBN PubMed
Muscarinic acetylcholine receptor M3 antagonist Muscarinic acetylcholine receptor M3 DailyMed ISBN PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Depressive DisorderD003866EFO:0003761unipolar depression1ClinicalTrials
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease3ClinicalTrials
ClinicalTrials
Lung Diseases, ObstructiveD008173HP:0006536obstructive lung disease4ATC
SialorrheaD0127981ClinicalTrials
AsthmaD001249EFO:0000270asthma2ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov GLYCOPYRROLATE
The Cochrane Collaboration GLYCOPYRROLATE

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 CHEMBL1201027. 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
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 1.000
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.999



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 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 0.999
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.998
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.774
CHEMBL1615381 Menin Homo sapiens 0.759

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
318.4 318.2064 2.46 4 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
12.1 - -.96 -.96 1 23 0.69

Structural Alerts

There are 2 structural alerts for CHEMBL1201027. To view alerts please click here.

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R03 - DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03B - OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
R03BB - Anticholinergics
R03BB06 - glycopyrronium bromide

A - ALIMENTARY TRACT AND METABOLISM
A03 - DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03A - DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03AB - Synthetic anticholinergics, quaternary ammonium compounds
A03AB02 - glycopyrronium bromide

ChemSpider ChemSpider:VPNYRYCIDCJBOM-UHFFFAOYSA-M
DailyMed glycopyrrolate
PubChem SID: 144206695 SID: 144206696 SID: 170465427 SID: 85273808

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201027



ACToR 596-51-0 53808-86-9
ChEBI 90972
ChemicalBook CB7299542
eMolecules 2729285
EPA CompTox Dashboard DTXSID6023109
MolPort MolPort-006-112-011
NIH Clinical Collection SAM001246629 SAM002589987
PubChem 11693 521843
PubChem: Drugs of the Future 49684186
PubChem: Thomson Pharma 14781160
SureChEMBL SCHEMBL41436

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