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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1101
CHEMBL1101
Compound Name BIPERIDEN
ChEMBL Synonyms Akineton | BIPERIDEN | BIPERIDEN LACTATE | AKINETON | AKINETON RET | BIPERIDEN HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names AKINETON RET | Akineton | AKINETON
Molecular Formula C21H29NO

Additional synonyms for CHEMBL1101 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4
Standard InChI InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-1 ...
Download InChI
Standard InChI Key YSXKPIUOCJLQIE-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1101

Molecule Features

CHEMBL1101 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Wounds and InjuriesD014947EFO:0000546injury3ClinicalTrials
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence3ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease4ATC
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials

Clinical Data

ClinicalTrials.gov BIPERIDEN
The Cochrane Collaboration BIPERIDEN

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 CHEMBL1101. 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 0.993
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.974
CHEMBL287 Sigma opioid receptor Homo sapiens 0.853
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.653
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.647
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.575
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.319
CHEMBL240 HERG Homo sapiens 0.261



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.986
CHEMBL287 Sigma opioid receptor Homo sapiens 0.769
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.492
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.447
CHEMBL264 Histamine H3 receptor Homo sapiens 0.413
CHEMBL240 HERG Homo sapiens 0.380
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.369
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.358
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.300

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
311.5 311.2249 3.96 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
- 9.26 4.26 2.42 1 23 0.83

Structural Alerts

There are 1 structural alerts for CHEMBL1101. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N04 - ANTI-PARKINSON DRUGS
N04A - ANTICHOLINERGIC AGENTS
N04AA - Tertiary amines
N04AA02 - biperiden

ChemSpider ChemSpider:YSXKPIUOCJLQIE-UHFFFAOYSA-N
PubChem SID: 124894170 SID: 174006780 SID: 90341640
Wikipedia Biperiden

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1101



ACToR 514-65-8
BindingDB 50240680
ChEBI 3112
DrugBank DB00810
DrugCentral 374
EPA CompTox Dashboard DTXSID6022680
Guide to Pharmacology 7128
Human Metabolome Database HMDB0014948
IBM Patent System 1D3AD8036E8DAE4496AD67E86640DD97
KEGG Ligand C07941
LINCS LSM-1235
MolPort MolPort-003-666-707
Nikkaji J2.059A
PharmGKB PA448626
PubChem 2381
PubChem: Thomson Pharma 14752229
SureChEMBL SCHEMBL20229360 SCHEMBL34957

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