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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201338
CHEMBL1201338
Compound Name CYCLOPENTOLATE
ChEMBL Synonyms CYCLOGYL | CYCLOPENTOLATE HYDROCHLORIDE | AK-PENTOLATE | AKPENTOLATE | Cyclopentolate | ALNIDE | PENTOLAIR | MYDRILATE
Max Phase 4 (Approved)
Trade Names AKPENTOLATE | PENTOLAIR | ALNIDE | MYDRILATE | AK-PENTOLATE | CYCLOPENTOLATE HYDROCHLORIDE | CYCLOGYL
Molecular Formula C17H25NO3

Additional synonyms for CHEMBL1201338 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2
Standard InChI InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14 ...
Download InChI
Standard InChI Key SKYSRIRYMSLOIN-UHFFFAOYSA-N

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


CHEMBL1201338

Molecule Features

CHEMBL1201338 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Refractive ErrorsD012030HP:0000539Abnormality of refraction1ClinicalTrials
Communicable DiseasesD003141EFO:0005741infectious disease3ClinicalTrials

Clinical Data

ClinicalTrials.gov CYCLOPENTOLATE
The Cochrane Collaboration CYCLOPENTOLATE

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 CHEMBL1201338. 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 CHEMBL1201338. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01F - MYDRIATICS AND CYCLOPLEGICS
S01FA - Anticholinergics
S01FA54 - cyclopentolate, combinations

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01F - MYDRIATICS AND CYCLOPLEGICS
S01FA - Anticholinergics
S01FA04 - cyclopentolate

ChemSpider ChemSpider:SKYSRIRYMSLOIN-UHFFFAOYSA-N
DailyMed cyclopentolate hydrochloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201338



ACToR 512-15-2
BindingDB 82375
ChEBI 4024
DrugBank DB00979
DrugCentral 757
eMolecules 36554207
EPA CompTox Dashboard DTXSID3048528
Guide to Pharmacology 7153
Human Metabolome Database HMDB0015114
IBM Patent System 5CD8A1884E88B1E558AA104B91E0CCEC
KEGG Ligand C06932
LINCS LSM-1800
MolPort MolPort-005-935-560
Nikkaji J264.904G J6.274J J264.905E
PharmGKB PA164743019
PubChem 2905
PubChem: Thomson Pharma 15270905
SureChEMBL SCHEMBL132500

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