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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201210
CHEMBL1201210
Compound Name PROPIOMAZINE
ChEMBL Synonyms Propavan | Indorm | Dorevan | Largon | PROPIOMAZINE | WY-1359 | PROPIOMAZINE HYDROCHLORIDE | Dorevane | CB 1678 | LARGON
Max Phase 4 (Approved)
Trade Names LARGON
Molecular Formula C20H24N2OS

Additional synonyms for CHEMBL1201210 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1
Standard InChI InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14 ...
Download InChI
Standard InChI Key UVOIBTBFPOZKGP-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1201210

Molecule Features

CHEMBL1201210 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Histamine H1 receptor antagonist Histamine H1 receptor ISBN

Clinical Data

ClinicalTrials.gov PROPIOMAZINE
The Cochrane Collaboration PROPIOMAZINE

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 CHEMBL1201210. 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
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.998
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.985
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.955
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.906
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.801
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.721
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.367
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.358
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.311
CHEMBL2367 Peptide deformylase Staphylococcus aureus subsp. aureus Mu50 0.237
CHEMBL2392 DNA polymerase beta Homo sapiens 0.220
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.205



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5131 Trypanothione reductase Trypanosoma cruzi 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.999
CHEMBL2428 Myosin light chain kinase, smooth muscle Homo sapiens 0.995
CHEMBL1941 Histamine H2 receptor Homo sapiens 0.987
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.760
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.760
CHEMBL4143 Calpain 2 Sus scrofa 0.731
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.537
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.329
CHEMBL5514 Huntingtin Homo sapiens 0.232
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.204

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
340.5 340.1609 4.83 5 23.55 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.92 4.79 3.27 2 24 0.73

Structural Alerts

There are 1 structural alerts for CHEMBL1201210. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CM - Other hypnotics and sedatives
N05CM06 - propiomazine

ChemSpider ChemSpider:UVOIBTBFPOZKGP-UHFFFAOYSA-N
Wikipedia Propiomazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201210



ACToR 362-29-8
ChEBI 8491
DrugBank DB00777
DrugCentral 2298
eMolecules 35867570
EPA CompTox Dashboard DTXSID1023520
Guide to Pharmacology 7284
Human Metabolome Database HMDB0014915
IBM Patent System 6656D9D9DEA766FBC5E341B715A6D5CE
KEGG Ligand C07405
Nikkaji J5.699E
PharmGKB PA164778685
PubChem 4940
PubChem: Thomson Pharma 14802382
SureChEMBL SCHEMBL93770

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