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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200970
CHEMBL1200970
Compound Name ETHOPROPAZINE HYDROCHLORIDE
ChEMBL Synonyms PROPHENAMINE HYDROCHLORIDE | PARSIDOL | PROFENAMINE HYDROCHLORIDE | ETHOPROPAZINE HYDROCHLORIDE | PROFENAMINE | PROFENAMINE HIBENZATE
Max Phase 4 (Approved)
Trade Names PARSIDOL
Molecular Formula C19H25ClN2S

Additional synonyms for CHEMBL1200970 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13
Standard InChI InChI=1S/C19H24N2S.ClH/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-1 ...
Download InChI
Standard InChI Key VXPCQISYVPFYRK-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200970

Molecule Features

CHEMBL1200970 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscarinic acetylcholine receptor M1 antagonist Muscarinic acetylcholine receptor M1 ISBN PubMed

Clinical Data

ClinicalTrials.gov ETHOPROPAZINE HYDROCHLORIDE
The Cochrane Collaboration ETHOPROPAZINE HYDROCHLORIDE

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 CHEMBL1200970. 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
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 0.998
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.998
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.997
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.997
CHEMBL2367 Peptide deformylase Staphylococcus aureus subsp. aureus Mu50 0.996
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.995
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.994
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.892
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.783
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.756
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.672
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.665
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.651
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.485
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.455
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.318
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.266



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5131 Trypanothione reductase Trypanosoma cruzi 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.999
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 0.999
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.993
CHEMBL2367 Peptide deformylase Staphylococcus aureus subsp. aureus Mu50 0.987
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.972
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.962
CHEMBL231 Histamine H1 receptor Homo sapiens 0.921
CHEMBL2428 Myosin light chain kinase, smooth muscle Homo sapiens 0.912
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.879
CHEMBL1941 Histamine H2 receptor Homo sapiens 0.795
CHEMBL1741179 Probable DNA dC->dU-editing enzyme APOBEC-3A Homo sapiens 0.649
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.501
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.451
CHEMBL4869 Prion protein Homo sapiens 0.407
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.365
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.334
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.301
CHEMBL4143 Calpain 2 Sus scrofa 0.250
CHEMBL5524 Protein-arginine N-methyltransferase 1 Homo sapiens 0.227

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
312.5 312.166 5.02 5 6.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 2 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.88 5.91 3.57 2 22 0.77

Structural Alerts

There are no structural alerts for CHEMBL1200970

Compound Cross References

ChemSpider ChemSpider:VXPCQISYVPFYRK-UHFFFAOYSA-N
PubChem SID: 144204047 SID: 170465065 SID: 26748043 SID: 26748044

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200970



ACToR 1094-08-2 42957-54-0
ChEBI 31568
eMolecules 567788
EPA CompTox Dashboard DTXSID4045347
Mcule MCULE-2860573503
PubChem 57515103 122824
PubChem: Thomson Pharma 49653581
SureChEMBL SCHEMBL123703

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