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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490
CHEMBL1490
Compound Name TRIHEXYPHENIDYL
ChEMBL Synonyms AGITANE | BENTEX | TREMIN | TRIHEXYPHENIDYL | ARTANE | BENZHEXOL | BROFLEX | TRIHEXYPHENIDYL HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names ARTANE | TREMIN | AGITANE | BROFLEX | TRIHEXYPHENIDYL HYDROCHLORIDE | BENTEX
Molecular Formula C20H31NO

Additional synonyms for CHEMBL1490 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3
Standard InChI InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19 ...
Download InChI
Standard InChI Key HWHLPVGTWGOCJO-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • 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


CHEMBL1490

Molecule Features

CHEMBL1490 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 ISBN PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Parkinson DiseaseD010300EFO:0002508Parkinson's disease4ATC

Clinical Data

ClinicalTrials.gov TRIHEXYPHENIDYL
The Cochrane Collaboration TRIHEXYPHENIDYL

Metabolites for CHEMBL1490

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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 CHEMBL1490. 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
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.998
CHEMBL287 Sigma opioid receptor Homo sapiens 0.996
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.976
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.959
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.660
CHEMBL2014 Nociceptin receptor Homo sapiens 0.564
CHEMBL233 Mu opioid receptor Homo sapiens 0.550
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.343
CHEMBL274 C-C chemokine receptor type 5 Homo sapiens 0.316
CHEMBL240 HERG Homo sapiens 0.302
CHEMBL264 Histamine H3 receptor Homo sapiens 0.247



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.999
CHEMBL287 Sigma opioid receptor Homo sapiens 0.995
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.993
CHEMBL233 Mu opioid receptor Homo sapiens 0.800
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.670
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.657
CHEMBL2014 Nociceptin receptor Homo sapiens 0.569
CHEMBL264 Histamine H3 receptor Homo sapiens 0.471
CHEMBL1615381 Menin Homo sapiens 0.445
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.342
CHEMBL240 HERG Homo sapiens 0.277
CHEMBL237 Kappa opioid receptor Homo sapiens 0.269
CHEMBL274 C-C chemokine receptor type 5 Homo sapiens 0.249

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
301.5 301.2406 4.33 5 23.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.31 4.39 2.5 1 22 0.87

Structural Alerts

There are no structural alerts for CHEMBL1490

Compound Cross References

ATC N - NERVOUS SYSTEM
N04 - ANTI-PARKINSON DRUGS
N04A - ANTICHOLINERGIC AGENTS
N04AA - Tertiary amines
N04AA01 - trihexyphenidyl

ChemSpider ChemSpider:HWHLPVGTWGOCJO-UHFFFAOYSA-N
DailyMed trihexyphenidyl hydrochloride
PubChem SID: 50105266 SID: 90341555
Wikipedia Trihexyphenidyl

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490



ACToR 144-11-6
BindingDB 81462
ChEBI 9720
DrugBank DB00376
DrugCentral 2745
eMolecules 901461
EPA CompTox Dashboard DTXSID4023705
Guide to Pharmacology 7315
Human Metabolome Database HMDB0014520
IBM Patent System E7D186701AD29163F9287AC716E48AD2
KEGG Ligand C07171
LINCS LSM-5060
Mcule MCULE-6065307656
MolPort MolPort-001-783-510
Nikkaji J19.358E J5.826B
PharmGKB PA164747026
PubChem 5572
PubChem: Thomson Pharma 14751778
SureChEMBL SCHEMBL34645

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