ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200473
CHEMBL1200473
Compound Name CYCLOPENTOLATE HYDROCHLORIDE
ChEMBL Synonyms AKPENTOLATE | CYCLOGYL | MYDRILATE | PENTOLAIR | CYCLOPENTOLATE HYDROCHLORIDE | ALNIDE | AK-PENTOLATE
Max Phase 4 (Approved)
Trade Names AK-PENTOLATE | AKPENTOLATE | ALNIDE | CYCLOGYL | CYCLOPENTOLATE HYDROCHLORIDE | MYDRILATE | PENTOLAIR
Molecular Formula C17H26ClNO3

Additional synonyms for CHEMBL1200473 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2
Standard InChI InChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5- ...
Download InChI
Standard InChI Key RHKZVMUBMXGOLL-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1200473

Molecule Features

CHEMBL1200473 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:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov CYCLOPENTOLATE HYDROCHLORIDE
The Cochrane Collaboration CYCLOPENTOLATE HYDROCHLORIDE

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 CHEMBL1200473. 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
CHEMBL222 Norepinephrine transporter Homo sapiens 0.709
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.704
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.519

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL222 Norepinephrine transporter Homo sapiens 0.886
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.884
CHEMBL6184 Transporter Rattus norvegicus 0.848
CHEMBL228 Serotonin transporter Homo sapiens 0.637
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.365
CHEMBL338 Dopamine transporter Rattus norvegicus 0.322
CHEMBL238 Dopamine transporter Homo sapiens 0.268
CHEMBL287 Sigma opioid receptor Homo sapiens 0.237

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
291.4 291.1834 2.18 6 49.77 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.22 .99 .14 1 21 0.82

Structural Alerts

There are 3 structural alerts for CHEMBL1200473. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RHKZVMUBMXGOLL-UHFFFAOYSA-N
DailyMed cyclopentolate hydrochloride
PubChem SID: 170464720 SID: 26747954 SID: 56320713 SID: 855558
Wikipedia Cyclopentolate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200473



ACToR 5870-29-1
eMolecules 33506939
EPA CompTox Dashboard DTXSID9045390
Mcule MCULE-2908399106
MolPort MolPort-003-666-151
PubChem 22162 657209 43833353
PubChem: Thomson Pharma 14801775
SureChEMBL SCHEMBL24612

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