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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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
CHEMBL231 Histamine H1 receptor Homo sapiens 0.779
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.650
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.366
CHEMBL222 Norepinephrine transporter Homo sapiens 0.224
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.205

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6184 Transporter Rattus norvegicus 0.731
CHEMBL231 Histamine H1 receptor Homo sapiens 0.666
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.639
CHEMBL222 Norepinephrine transporter Homo sapiens 0.634
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.577
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.446
CHEMBL338 Dopamine transporter Rattus norvegicus 0.378
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.292
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.244
CHEMBL228 Serotonin transporter Homo sapiens 0.229

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
291.4 291.1834 2.49 7 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
13.82 8.11 6.23 5.53 1 21 0.78

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
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
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