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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1371770
CHEMBL1371770
Compound Name PIRIBEDIL
ChEMBL Synonyms TRIVASTAL | ET-495 | TRIVASTAL LP | EU-4200 | Piribedil Maleate | PIRIBEDIL
Max Phase 4 (Approved)
Trade Names TRIVASTAL | TRIVASTAL LP
Molecular Formula C16H18N4O2

Additional synonyms for CHEMBL1371770 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3
Standard InChI InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13 ...
Download InChI
Standard InChI Key OQDPVLVUJFGPGQ-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1371770

Molecule Features

CHEMBL1371770 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

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

Clinical Data

ClinicalTrials.gov PIRIBEDIL
The Cochrane Collaboration PIRIBEDIL

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 CHEMBL1371770. 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
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL4481 Nitric oxide synthase, inducible Homo sapiens 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 1.000
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.998
CHEMBL4203 Dual specificity protein kinase CLK4 Homo sapiens 0.997
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.995
CHEMBL344 Melanin-concentrating hormone receptor 1 Homo sapiens 0.993
CHEMBL1827 Phosphodiesterase 5A Homo sapiens 0.991
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.987
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.977
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.974
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.964
CHEMBL240 HERG Homo sapiens 0.956
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.931
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.919
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.889
CHEMBL287 Sigma opioid receptor Homo sapiens 0.841



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL4481 Nitric oxide synthase, inducible Homo sapiens 1.000
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 1.000
CHEMBL4203 Dual specificity protein kinase CLK4 Homo sapiens 1.000
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 0.992
CHEMBL344 Melanin-concentrating hormone receptor 1 Homo sapiens 0.991
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.989
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.987
CHEMBL4372 Anthrax lethal factor Bacillus anthracis 0.976
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.970
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.966
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.962
CHEMBL240 HERG Homo sapiens 0.929
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.915
CHEMBL1827 Phosphodiesterase 5A Homo sapiens 0.915
CHEMBL4225 Dual specificity protein kinase CLK2 Homo sapiens 0.911
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.862

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
298.4 298.143 1.53 3 50.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.07 2.43 2.42 2 22 0.86

Structural Alerts

There are no structural alerts for CHEMBL1371770

Compound Cross References

ATC N - NERVOUS SYSTEM
N04 - ANTI-PARKINSON DRUGS
N04B - DOPAMINERGIC AGENTS
N04BC - Dopamine agonists
N04BC08 - piribedil

ChemSpider ChemSpider:OQDPVLVUJFGPGQ-UHFFFAOYSA-N
PubChem SID: 104171222 SID: 11111687 SID: 11111688 SID: 11113867 SID: 144203796 SID: 170466242 SID: 90341513
Wikipedia Piribedil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1371770



ACToR 3605-01-4
BindingDB 85092
ChEBI 92833
ChemicalBook CB6261328
DrugBank DB12478
DrugCentral 2202
eMolecules 1254510
EPA CompTox Dashboard DTXSID9045188
FDA SRS DO22K1PRDJ
Guide to Pharmacology 49
IBM Patent System AC09B45A710E674B9B73EEB9176BBFB7
LINCS LSM-3057
Mcule MCULE-1529810865
MolPort MolPort-001-900-168
Nikkaji J8.178G
PubChem 4850
PubChem: Thomson Pharma 14776022
SureChEMBL SCHEMBL150101
ZINC ZINC000019537374

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