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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200996
CHEMBL1200996
Compound Name MEPHENTERMINE SULFATE
ChEMBL Synonyms Mephentermine sodium | WYAMINE SULFATE
Max Phase 0
Trade Names
Molecular Formula C11H19NO4S

Additional synonyms for CHEMBL1200996 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(C)(C)Cc1ccccc1.OS(=O)(=O)O
Standard InChI InChI=1S/C11H17N.H2O4S/c1-11(2,12-3)9-10-7-5-4-6-8-10;1-5(2, ...
Download InChI
Standard InChI Key NZKLHVGUPFNBFD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1200996

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 CHEMBL1200996. 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 0.999
CHEMBL332 Matrix metalloproteinase-1 Homo sapiens 0.654
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.568
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.205

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1878 Calcium sensing receptor Homo sapiens 1.000
CHEMBL332 Matrix metalloproteinase-1 Homo sapiens 0.592
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.424
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.355

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
163.3 163.1361 2.23 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 CHEMBL1200996

Compound Cross References

ChemSpider ChemSpider:NZKLHVGUPFNBFD-UHFFFAOYSA-N
PubChem SID: 56463047

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200996



PubChem 5702236
SureChEMBL SCHEMBL6237301

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