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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1909286
CHEMBL1909286
Compound Name PHENOXYPROPAZINE
ChEMBL Synonyms PHENOXYPROPAZINE | FENOXYPROPAZINE
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names
Molecular Formula C9H14N2O

Additional synonyms for CHEMBL1909286 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(COc1ccccc1)NN
Standard InChI InChI=1S/C9H14N2O/c1-8(11-10)7-12-9-5-3-2-4-6-9/h2-6,8,11H,7 ...
Download InChI
Standard InChI Key QNEXFJFTGQBXBJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL1909286

Molecule Features

CHEMBL1909286 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Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year 1966
Country United Kingdom
Reason Hepatotoxicity; Drug Interaction
Class Hepatotoxicity

Mechanism of Action

Mechanism of Action ChEMBL Target References
Monoamine oxidase inhibitor Monoamine oxidase PubMed PubMed PubMed PubMed

Clinical Data

ClinicalTrials.gov PHENOXYPROPAZINE
The Cochrane Collaboration PHENOXYPROPAZINE

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 CHEMBL1909286. 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
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 0.885
CHEMBL3399910 Probable G-protein coupled receptor 88 Homo sapiens 0.649
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.576
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.532
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.509
CHEMBL4618 Leukotriene A4 hydrolase Homo sapiens 0.277



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 0.897
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.884
CHEMBL3399910 Probable G-protein coupled receptor 88 Homo sapiens 0.802
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.502
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.483
CHEMBL4618 Leukotriene A4 hydrolase Homo sapiens 0.353

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
166.2 166.1106 0.92 4 47.28 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.06 .86 .59 1 12 0.52

Structural Alerts

There are 5 structural alerts for CHEMBL1909286. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QNEXFJFTGQBXBJ-UHFFFAOYSA-N
PubChem SID: 144206870
Wikipedia Phenoxypropazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1909286



ACToR 3818-37-9
ChEBI 134799
DrugBank DB09251
DrugCentral 3814
EPA CompTox Dashboard DTXSID1048837
Nikkaji J13.398A
PubChem 71467
PubChem: Thomson Pharma 15243331
SureChEMBL SCHEMBL147198

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