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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201234
CHEMBL1201234
Compound Name MEPHENTERMINE
ChEMBL Synonyms MEPHENTERMINE | MEPHENTERMINE SULFATE | WYAMINE SULFATE | Mephentermine sodium
Max Phase 4 (Approved)
Trade Names WYAMINE SULFATE
Molecular Formula C11H17N

Additional synonyms for CHEMBL1201234 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(C)(C)Cc1ccccc1
Standard InChI InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2 ...
Download InChI
Standard InChI Key RXQCGGRTAILOIN-UHFFFAOYSA-N

Sources

  • 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


CHEMBL1201234

Molecule Features

CHEMBL1201234 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov MEPHENTERMINE
The Cochrane Collaboration MEPHENTERMINE

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 CHEMBL1201234. 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
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.994
CHEMBL332 Matrix metalloproteinase-1 Homo sapiens 0.760
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.369
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.272
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.252

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.997
CHEMBL332 Matrix metalloproteinase-1 Homo sapiens 0.715
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.447

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
163.3 163.1361 2.27 3 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.38 2.61 -.12 1 12 0.72

Structural Alerts

There are no structural alerts for CHEMBL1201234

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01C - CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
C01CA - Adrenergic and dopaminergic agents
C01CA11 - mephentermine

ChemSpider ChemSpider:RXQCGGRTAILOIN-UHFFFAOYSA-N
PubChem SID: 11112475
Wikipedia Mephentermine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201234



ACToR 100-92-5
BindingDB 81455
ChEBI 6755
DrugBank DB01365
DrugCentral 1694
eMolecules 1987172
EPA CompTox Dashboard DTXSID4023256
FDA SRS TEZ91L71V4
Guide to Pharmacology 7222
Human Metabolome Database HMDB0015452
IBM Patent System 6B948D47901B6368482EAE1130753CF5
KEGG Ligand C07889
LINCS LSM-2396
Nikkaji J4.989A
PharmGKB PA164745533
PubChem 3677
PubChem: Thomson Pharma 14772475
SureChEMBL SCHEMBL121178
ZINC ZINC000008132748

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