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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL49943
CHEMBL49943
Compound Name FENPIPRANE
ChEMBL Synonyms FENPIPRANE HYDROCHLORIDE | FENPIPRANE
Max Phase 0
Trade Names
Molecular Formula C20H25N

Additional synonyms for CHEMBL49943 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(CN1CCCCC1)C(c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C20H25N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-1 ...
Download InChI
Standard InChI Key JXJPYHDHJZJWRI-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL49943

Molecule Features

CHEMBL49943 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

Clinical Data

ClinicalTrials.gov FENPIPRANE
The Cochrane Collaboration FENPIPRANE

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 CHEMBL49943. 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
CHEMBL274 C-C chemokine receptor type 5 Homo sapiens 1.000
CHEMBL4608 Melanocortin receptor 5 Homo sapiens 1.000
CHEMBL264 Histamine H3 receptor Homo sapiens 0.999
CHEMBL287 Sigma opioid receptor Homo sapiens 0.998
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.997
CHEMBL2014 Nociceptin receptor Homo sapiens 0.995
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.993
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.992
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.974
CHEMBL338 Dopamine transporter Rattus norvegicus 0.967
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.949
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.874
CHEMBL231 Histamine H1 receptor Homo sapiens 0.794
CHEMBL6184 Transporter Rattus norvegicus 0.575
CHEMBL313 Serotonin transporter Rattus norvegicus 0.550
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.548
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.464
CHEMBL233 Mu opioid receptor Homo sapiens 0.451
CHEMBL237 Kappa opioid receptor Homo sapiens 0.439
CHEMBL4124 Histamine H3 receptor Rattus norvegicus 0.412



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL274 C-C chemokine receptor type 5 Homo sapiens 1.000
CHEMBL4608 Melanocortin receptor 5 Homo sapiens 1.000
CHEMBL264 Histamine H3 receptor Homo sapiens 1.000
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.999
CHEMBL287 Sigma opioid receptor Homo sapiens 0.998
CHEMBL2014 Nociceptin receptor Homo sapiens 0.998
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.994
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.994
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.991
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.991
CHEMBL338 Dopamine transporter Rattus norvegicus 0.960
CHEMBL313 Serotonin transporter Rattus norvegicus 0.954
CHEMBL231 Histamine H1 receptor Homo sapiens 0.895
CHEMBL233 Mu opioid receptor Homo sapiens 0.892
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.884
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.792
CHEMBL237 Kappa opioid receptor Homo sapiens 0.731
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.706
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.671
CHEMBL3473 C-C chemokine receptor type 3 Homo sapiens 0.639

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
279.4 279.1987 4.69 5 3.24 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.49 4.62 2.57 2 21 0.77

Structural Alerts

There are no structural alerts for CHEMBL49943

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A03 - DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03A - DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03AX - Other drugs for functional gastrointestinal disorders
A03AX01 - fenpiprane

ChemSpider ChemSpider:JXJPYHDHJZJWRI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL49943



ACToR 3540-95-2
ChEBI 135159
DrugCentral 1159
EPA CompTox Dashboard DTXSID10188883
FDA SRS S2FVB1RL5X
IBM Patent System B1532AAD5F50F32C181F8C4ED86F50D0
Nikkaji J7.959F
PubChem 197785
PubChem: Thomson Pharma 14948061
SureChEMBL SCHEMBL24507
ZINC ZINC000001482064

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