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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1194666
CHEMBL1194666
Compound Name DIETHYLPROPION
ChEMBL Synonyms APISATE | TENUATE | AMFEPRAMONE | TENUATE DOSPAN | DIETHYLPROPION HYDROCHLORIDE | DIETHYLPROPION | TEPANIL | TEPANIL TEN-TAB
Max Phase 4 (Approved)
Trade Names APISATE | TEPANIL | TENUATE | DIETHYLPROPION HYDROCHLORIDE | TENUATE DOSPAN | TEPANIL TEN-TAB
Molecular Formula C13H19NO

Additional synonyms for CHEMBL1194666 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(C)C(=O)c1ccccc1
Standard InChI InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6 ...
Download InChI
Standard InChI Key XXEPPPIWZFICOJ-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • 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


CHEMBL1194666

Molecule Features

CHEMBL1194666 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Dopamine transporter inhibitor Dopamine transporter DailyMed ISBN PubMed PubMed
Norepinephrine transporter inhibitor Norepinephrine transporter DailyMed ISBN PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ObesityD009765EFO:0001073obesity4ATC

Clinical Data

ClinicalTrials.gov DIETHYLPROPION
The Cochrane Collaboration DIETHYLPROPION

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 CHEMBL1194666. 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
CHEMBL5141 Cytochrome P450 26A1 Homo sapiens 0.538
CHEMBL4072 Cathepsin B Homo sapiens 0.344

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5141 Cytochrome P450 26A1 Homo sapiens 0.742

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
205.3 205.1467 2.6 5 20.31 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.48 2.55 1.44 1 15 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL1194666. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A08 - ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08A - ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08AA - Centrally acting antiobesity products
A08AA03 - amfepramone

ChemSpider ChemSpider:XXEPPPIWZFICOJ-UHFFFAOYSA-N
DailyMed diethylpropion hydrochloride
Wikipedia Amfepramone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1194666



ACToR 90-84-6
ChEBI 4530
DrugBank DB00937
DrugCentral 874
EPA CompTox Dashboard DTXSID6022929
Guide to Pharmacology 7161
Human Metabolome Database HMDB0015072
IBM Patent System 735CEEAB25FEB9F79AE095C69C94FBED
KEGG Ligand C06954
LINCS LSM-5038
Mcule MCULE-3905795013
Nikkaji J4.327C
PharmGKB PA164778098
PubChem 7029
PubChem: Thomson Pharma 15438771
SureChEMBL SCHEMBL27330

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