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ChEMBL Statistics
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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
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
CHEMBL1075280 Dual specificity protein kinase CLK1 Mus musculus 1.000
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.999
CHEMBL1803 Leukocyte adhesion glycoprotein LFA-1 alpha Homo sapiens 0.999
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 0.998
CHEMBL1293255 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens 0.997
CHEMBL4081 Coagulation factor III Homo sapiens 0.994
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.991
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.973
CHEMBL2039 Monoamine oxidase B Homo sapiens 0.965
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.960
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.949
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.930
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.870
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.848
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.690
CHEMBL5514 Huntingtin Homo sapiens 0.635
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.554
CHEMBL3949 Endothelin receptor ET-B Sus scrofa 0.524
CHEMBL2392 DNA polymerase beta Homo sapiens 0.471
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.456



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 1.000
CHEMBL1293255 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens 0.999
CHEMBL1075280 Dual specificity protein kinase CLK1 Mus musculus 0.998
CHEMBL2039 Monoamine oxidase B Homo sapiens 0.996
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.992
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.984
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.982
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 0.982
CHEMBL1803 Leukocyte adhesion glycoprotein LFA-1 alpha Homo sapiens 0.979
CHEMBL1075282 Dual specificity protein kinase CLK3 Mus musculus 0.968
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.930
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.925
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.925
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.898
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.894
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.848
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.814
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.799
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.761
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.760

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
285.3 285.1365 2.86 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
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 MolPort-009-671-559
Nikkaji J4.701E J50.666D
NMRShiftDB 10016311
PubChem 638024
PubChem: Thomson Pharma 14775491
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
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