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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201269
CHEMBL1201269
Compound Name CHLORPHENTERMINE
ChEMBL Synonyms W 2426 | W-2426 | CHLORPHENTERMINE HYDROCHLORIDE | PRE-SATE | CHLORPHENTERMINE | S-62
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names PRE-SATE
Molecular Formula C10H14ClN

Additional synonyms for CHEMBL1201269 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(N)Cc1ccc(Cl)cc1
Standard InChI InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H ...
Download InChI
Standard InChI Key ZCKAMNXUHHNZLN-UHFFFAOYSA-N

Sources

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  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL1201269

Molecule Features

CHEMBL1201269 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year 1969
Country Germany
Reason Cardiovascular

Mechanism of Action

Mechanism of Action ChEMBL Target References
Serotonin transporter substrate Serotonin transporter PubMed PubMed

Clinical Data

ClinicalTrials.gov CHLORPHENTERMINE
The Cochrane Collaboration CHLORPHENTERMINE

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 CHEMBL1201269. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5493 Free fatty acid receptor 2 Homo sapiens 0.934

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
183.7 183.0815 2.5 2 26.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.76 2.78 .5 1 12 0.75

Structural Alerts

There are no structural alerts for CHEMBL1201269

Compound Cross References

ChemSpider ChemSpider:ZCKAMNXUHHNZLN-UHFFFAOYSA-N
PubChem SID: 29216103
Wikipedia Chlorphentermine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201269



ACToR 461-78-9
BindingDB 85704
ChEBI 3646
DrugBank DB01556
DrugCentral 618
eMolecules 1883431
EPA CompTox Dashboard DTXSID0022806
FDA SRS NHW07912O7
IBM Patent System 1A5EFDC3CEE275971B0D1E65E8A14702
KEGG Ligand C07559
Mcule MCULE-9625062817
Nikkaji J5.768A
PubChem 10007
PubChem: Thomson Pharma 15413616
SureChEMBL SCHEMBL160516
ZINC ZINC000000122765

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