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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL32573
CHEMBL32573
Compound Name TRAMAZOLINE
ChEMBL Synonyms TRAMAZOLINE HYDROCHLORIDE | TRAMAZOLINE
Max Phase 0
Trade Names
Molecular Formula C13H17N3

Additional synonyms for CHEMBL32573 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCc2c(C1)cccc2NC3=NCCN3
Standard InChI InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9- ...
Download InChI
Standard InChI Key QQJLHRRUATVHED-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL32573

Molecule Features

CHEMBL32573 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
Nasal ObstructionD015508HP:0001742Nasal obstruction0ATC

Clinical Data

ClinicalTrials.gov TRAMAZOLINE
The Cochrane Collaboration TRAMAZOLINE

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 CHEMBL32573. 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
CHEMBL3923 Nischarin Homo sapiens 1.000
CHEMBL266 Alpha-2b adrenergic receptor Rattus norvegicus 1.000
CHEMBL5221 Nischarin Rattus norvegicus 0.989
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.271
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.258

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5221 Nischarin Rattus norvegicus 1.000
CHEMBL3923 Nischarin Homo sapiens 1.000
CHEMBL266 Alpha-2b adrenergic receptor Rattus norvegicus 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.459
CHEMBL3922 Methionine aminopeptidase 2 Homo sapiens 0.276

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
215.3 215.1422 1.94 1 36.42 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.01 2.78 1.19 1 16 0.75

Structural Alerts

There are no structural alerts for CHEMBL32573

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AA - Sympathomimetics, plain
R01AA09 - tramazoline

ChemSpider ChemSpider:QQJLHRRUATVHED-UHFFFAOYSA-N
Wikipedia Tramazoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL32573



ACToR 1082-57-1
BindingDB 50027056
ChEBI 134893
DrugBank DB13064
DrugCentral 3620
eMolecules 1989309
EPA CompTox Dashboard DTXSID5046936
FDA SRS SLE31693IV
IBM Patent System CB0DB869EFB63E05AA8804ACAF63C745
Nikkaji J7.244C
PubChem 5524
PubChem: Thomson Pharma 15121306
SureChEMBL SCHEMBL121944
ZINC ZINC000001534528

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