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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200483
CHEMBL1200483
Compound Name PHENMETRAZINE HYDROCHLORIDE
ChEMBL Synonyms Phenmetrazine chloride | PHENMETRAZINE HYDROCHLORIDE | PHENMETRALINE HYDROCHLORIDE | PRELUDIN
Max Phase 4 (Approved)
Trade Names PRELUDIN
Molecular Formula C11H16ClNO

Additional synonyms for CHEMBL1200483 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CC1NCCOC1c2ccccc2
Standard InChI InChI=1S/C11H15NO.ClH/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;/h ...
Download InChI
Standard InChI Key VJNXVAVKCZJOFQ-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200483

Molecule Features

CHEMBL1200483 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:Discontinued

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov PHENMETRAZINE HYDROCHLORIDE
The Cochrane Collaboration PHENMETRAZINE HYDROCHLORIDE

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 CHEMBL1200483. 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
CHEMBL3833 Trace amine-associated receptor 1 Rattus norvegicus 0.937
CHEMBL4908 Trace amine-associated receptor 1 Mus musculus 0.929
CHEMBL222 Norepinephrine transporter Homo sapiens 0.451

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3833 Trace amine-associated receptor 1 Rattus norvegicus 0.954
CHEMBL4908 Trace amine-associated receptor 1 Mus musculus 0.925
CHEMBL222 Norepinephrine transporter Homo sapiens 0.653
CHEMBL1827 Phosphodiesterase 5A Homo sapiens 0.334

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
177.3 177.1154 1.74 1 21.26 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
- 8.58 1.74 .54 1 13 0.71

Structural Alerts

There are no structural alerts for CHEMBL1200483

Compound Cross References

ChemSpider ChemSpider:VJNXVAVKCZJOFQ-UHFFFAOYSA-N
PubChem SID: 144205719 SID: 170465166

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200483



ACToR 1707-14-8
ChEBI 8068
eMolecules 31231323
EPA CompTox Dashboard DTXSID0047822
KEGG Ligand C07433
PubChem 92159
PubChem: Thomson Pharma 16615929
SureChEMBL SCHEMBL121536

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