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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL146408
CHEMBL146408
Compound Name AMIDEPHRINE MESYLATE
ChEMBL Synonyms AMIDEPHRINE MESYLATE | 5190 | AMIDEFRINE MESILATE | AMIDEFRINE
Max Phase 0
Trade Names
Molecular Formula C10H16N2O3S

Additional synonyms for CHEMBL146408 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNCC(O)c1cccc(NS(=O)(=O)C)c1
Standard InChI InChI=1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14) ...
Download InChI
Standard InChI Key ZHOWHMXTJFZXRB-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL146408

Molecule Features

CHEMBL146408 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov AMIDEPHRINE MESYLATE
The Cochrane Collaboration AMIDEPHRINE MESYLATE

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 CHEMBL146408. 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
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL4400 Beta-3 adrenergic receptor Canis lupus familiaris 0.571
CHEMBL5102 Vanilloid receptor Rattus norvegicus 0.371

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 1.000
CHEMBL4400 Beta-3 adrenergic receptor Canis lupus familiaris 0.736
CHEMBL5102 Vanilloid receptor Rattus norvegicus 0.559
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.329

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
244.3 244.0882 -0.23 5 86.81 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.42 9.3 .11 -1.67 1 16 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL146408. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZHOWHMXTJFZXRB-UHFFFAOYSA-N
Wikipedia Amidephrine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL146408



ACToR 37571-84-9 3354-67-4
ChEBI 134994
DrugCentral 155
Guide to Pharmacology 514
IBM Patent System 3C6366AF0F49A2D4E9238068F9C43108
Nikkaji J447.680H
PubChem 15010
PubChem: Thomson Pharma 15122026
SureChEMBL SCHEMBL122479

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