ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104734
CHEMBL2104734
Compound Name OXOMEMAZINE
ChEMBL Synonyms OXOMEMAZINE | RP 6847
Max Phase 3
Trade Names
Molecular Formula C18H22N2O2S

Additional synonyms for CHEMBL2104734 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c3ccccc13
Standard InChI InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15 ...
Download InChI
Standard InChI Key QTQPVLDZQVPLGV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2104734

Molecule Features

CHEMBL2104734 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture 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
CoughD003371HP:0012735Cough3ClinicalTrials

Clinical Data

ClinicalTrials.gov OXOMEMAZINE
The Cochrane Collaboration OXOMEMAZINE

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 CHEMBL2104734. 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
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 1.000
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.961
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.887
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.782
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.684
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.585
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.440
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.381
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.320



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 0.996
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.846
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.828
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.591
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.476
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.468
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.339
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.266
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.210

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
330.5 330.1402 3.17 4 40.62 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.31 3.98 2.09 2 23 0.86

Structural Alerts

There are no structural alerts for CHEMBL2104734

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R06 - ANTIHISTAMINES FOR SYSTEMIC USE
R06A - ANTIHISTAMINES FOR SYSTEMIC USE
R06AD - Phenothiazine derivatives
R06AD08 - oxomemazine

ChemSpider ChemSpider:QTQPVLDZQVPLGV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104734



ACToR 3689-50-7
ChEBI 135408
DrugCentral 2025
EPA CompTox Dashboard DTXSID5023405
Human Metabolome Database HMDB0240230
IBM Patent System 7F498F49627E654B5335B43B4F0CFCA4
Nikkaji J8.210D
PubChem 19396
PubChem: Thomson Pharma 15421542
SureChEMBL SCHEMBL423634

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