ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL620
CHEMBL620
Compound Name CLIDINIUM
ChEMBL Synonyms Clidinium | RO 2-3773 | CLIDINIUM BROMIDE | QUARZAN
Max Phase 4 (Approved)
Trade Names QUARZAN
Molecular Formula C22H26NO3+

Additional synonyms for CHEMBL620 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24 ...
Download InChI
Standard InChI Key HOOSGZJRQIVJSZ-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL620

Molecule Features

CHEMBL620 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N 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
Muscarinic acetylcholine receptor M3 antagonist Muscarinic acetylcholine receptor M3 DailyMed ISBN

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Digestive System DiseasesD004066EFO:0000405digestive system disease4ATC

Clinical Data

ClinicalTrials.gov CLIDINIUM
The Cochrane Collaboration CLIDINIUM

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 CHEMBL620. 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
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.653
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.321



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL1741179 Probable DNA dC->dU-editing enzyme APOBEC-3A Homo sapiens 0.986

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
352.5 352.1907 2.7 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
11.13 - -.33 -.33 2 26 0.68

Structural Alerts

There are 4 structural alerts for CHEMBL620. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A03 - DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03C - ANTISPASMODICS IN COMBINATION WITH PSYCHOLEPTICS
A03CA - Synthetic anticholinergic agents in combination with psycholeptics
A03CA02 - clidinium and psycholeptics

ChemSpider ChemSpider:HOOSGZJRQIVJSZ-UHFFFAOYSA-N
DailyMed clidinium bromide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL620



ACToR 7020-55-5
ChEBI 95170
DrugCentral 676
EPA CompTox Dashboard DTXSID6045379
Guide to Pharmacology 366 351
IBM Patent System D25178768636EB65B36F84B41BAB9206
KEGG Ligand C07853
LINCS LSM-6447
Mcule MCULE-6993268975
Nikkaji J350.296A
PharmGKB PA164781044
PubChem 2784
SureChEMBL SCHEMBL14095206

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