ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43185
CHEMBL43185
Compound Name PIPERINE
ChEMBL Synonyms PIPERINE
Max Phase 1
Trade Names
Molecular Formula C17H19NO3

Additional synonyms for CHEMBL43185 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(\C=C\C=C\c1ccc2OCOc2c1)N3CCCCC3
Standard InChI InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-1 ...
Download InChI
Standard InChI Key MXXWOMGUGJBKIW-YPCIICBESA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL43185

Molecule Features

CHEMBL43185 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Deglutition DisordersD003680HP:0002015Dysphagia1ClinicalTrials
PainD010146EFO:0003843pain1ClinicalTrials

Clinical Data

ClinicalTrials.gov PIPERINE
The Cochrane Collaboration PIPERINE

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 CHEMBL43185. 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
CHEMBL3259470 G-protein coupled receptor 183 Homo sapiens 1.000
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 1.000
CHEMBL1075280 Dual specificity protein kinase CLK1 Mus musculus 1.000
CHEMBL2039 Monoamine oxidase B Homo sapiens 1.000
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 1.000
CHEMBL1293255 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens 0.998
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.997
CHEMBL1803 Leukocyte adhesion glycoprotein LFA-1 alpha Homo sapiens 0.996
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.990
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.986
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.974
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.973
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.958
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.924
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.921
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.915
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.877
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.875
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.833
CHEMBL5514 Huntingtin Homo sapiens 0.815



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2039 Monoamine oxidase B Homo sapiens 1.000
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 1.000
CHEMBL3259470 G-protein coupled receptor 183 Homo sapiens 1.000
CHEMBL1293255 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens 0.999
CHEMBL1075280 Dual specificity protein kinase CLK1 Mus musculus 0.999
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.997
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.993
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 0.993
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.992
CHEMBL1075282 Dual specificity protein kinase CLK3 Mus musculus 0.987
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.984
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.970
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.969
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.969
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.948
CHEMBL1803 Leukocyte adhesion glycoprotein LFA-1 alpha Homo sapiens 0.945
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.926
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.919
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.918
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.907

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
285.3 285.1365 3 3 38.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.37 3.37 1 21 0.63

Structural Alerts

There are 7 structural alerts for CHEMBL43185. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MXXWOMGUGJBKIW-YPCIICBESA-N
PubChem SID: 144209188 SID: 144213063 SID: 26748436 SID: 26753730 SID: 56463241
Wikipedia Piperine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43185



ACToR 7780-20-3 94-62-2 147030-08-8
BindingDB 50148573
Brenda 20806 45695
ChEBI 28821
ChemicalBook CB61323379 CB1249813
DrugBank DB12582
eMolecules 531025
EPA CompTox Dashboard DTXSID3021805
FDA SRS U71XL721QK
Guide to Pharmacology 2489
Human Metabolome Database HMDB0029377
IBM Patent System 8A444CA582890F35474D9904A55A58E5
KEGG Ligand C03882
LINCS LSM-42991
Mcule MCULE-2161604269
Metabolights MTBLC28821
MolPort MolPort-001-759-210
Nikkaji J4.701E J50.666D
NMRShiftDB 10016311
PubChem 638024
PubChem: Thomson Pharma 14775491
Rhea 28821
Selleck Piperine(1-Piperoylpiperidine)
SureChEMBL SCHEMBL94058
ZINC ZINC000001529772

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