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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1266
CHEMBL1266
Compound Name TETRAHYDROZOLINE
ChEMBL Synonyms TETRYZOLINE | TETRAHYDROZOLINE HYDROCHLORIDE | Tyzine | TETRAHYDROZOLINE NITRATE | Tetrahydrozoline | TETRYZOLINE HYDROCHLORIDE | TYZINE
Max Phase 4 (Approved)
Trade Names TYZINE
Molecular Formula C13H16N2

Additional synonyms for CHEMBL1266 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CC(C2=NCCN2)c3ccccc3C1
Standard InChI InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15- ...
Download InChI
Standard InChI Key BYJAVTDNIXVSPW-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1266

Molecule Features

CHEMBL1266 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Adrenergic receptor alpha agonist Adrenergic receptor alpha PubMed

Clinical Data

ClinicalTrials.gov TETRAHYDROZOLINE
The Cochrane Collaboration TETRAHYDROZOLINE

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 CHEMBL1266. 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
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 1.000
CHEMBL266 Alpha-2b adrenergic receptor Rattus norvegicus 1.000
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL2107 C-X-C chemokine receptor type 4 Homo sapiens 1.000
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 1.000
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 0.999
CHEMBL5221 Nischarin Rattus norvegicus 0.999
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.998
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 0.997
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.988
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.971
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.964
CHEMBL3780 Small conductance calcium-activated potassium channel protein 3 Rattus norvegicus 0.925
CHEMBL6084 Acetylcholine-binding protein Lymnaea stagnalis 0.796
CHEMBL222 Norepinephrine transporter Homo sapiens 0.782
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.764
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.730
CHEMBL228 Serotonin transporter Homo sapiens 0.694



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3923 Nischarin Homo sapiens 1.000
CHEMBL3122 Alpha-1b adrenergic receptor Mesocricetus auratus 1.000
CHEMBL266 Alpha-2b adrenergic receptor Rattus norvegicus 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 1.000
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 1.000
CHEMBL326 Alpha-1d adrenergic receptor Rattus norvegicus 1.000
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 1.000
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 1.000
CHEMBL5221 Nischarin Rattus norvegicus 1.000
CHEMBL2107 C-X-C chemokine receptor type 4 Homo sapiens 1.000
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 1.000
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.996
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 0.995
CHEMBL3780 Small conductance calcium-activated potassium channel protein 3 Rattus norvegicus 0.981
CHEMBL222 Norepinephrine transporter Homo sapiens 0.932
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.922
CHEMBL238 Dopamine transporter Homo sapiens 0.914
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.908
CHEMBL6084 Acetylcholine-binding protein Lymnaea stagnalis 0.906

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
200.3 200.1313 2.19 1 24.39 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.42 2.85 .88 1 15 0.75

Structural Alerts

There are no structural alerts for CHEMBL1266

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AA - Sympathomimetics, plain
R01AA06 - tetryzoline

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01G - DECONGESTANTS AND ANTIALLERGICS
S01GA - Sympathomimetics used as decongestants
S01GA52 - tetryzoline, combinations

R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AB - Sympathomimetics, combinations excl. corticosteroids
R01AB03 - tetryzoline

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01G - DECONGESTANTS AND ANTIALLERGICS
S01GA - Sympathomimetics used as decongestants
S01GA02 - tetryzoline

ChemSpider ChemSpider:BYJAVTDNIXVSPW-UHFFFAOYSA-N
DailyMed tetrahydrozoline hydrochloride
PubChem SID: 90341828
Wikipedia Tetrahydrozoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1266



ACToR 67731-52-6 84-22-0
BindingDB 96559
ChEBI 28674
DrugBank DB06764
DrugCentral 3591
eMolecules 902565
EPA CompTox Dashboard DTXSID1047861
IBM Patent System EB422A769F916C9E825E28380FC14B08
KEGG Ligand C07912
LINCS LSM-1430
Mcule MCULE-1878887684
MolPort MolPort-001-684-719
Nikkaji J4.437G
PubChem 5419
PubChem: Thomson Pharma 14797492
SureChEMBL SCHEMBL34760

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