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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL146408
ChEMBL Synonyms 5190 | Amidefrine | Amidefrine Mesilate | Amidephrine mesylate
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

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

Number of clinical trials registered at
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


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.


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 0.624
CHEMBL5102 Vanilloid receptor Rattus norvegicus 0.289


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 0.812
CHEMBL5102 Vanilloid receptor Rattus norvegicus 0.527
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.302
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.202

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

Compound Cross References

Wikipedia Amidephrine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL146408

ACToR 37571-84-9 3354-67-4
Guide to Pharmacology 514
IBM Patent System 3C6366AF0F49A2D4E9238068F9C43108
IBM Patents US20050214853 US20050106227 EP1890691A2 US7097631 WO2002089853A2 WO2006014484A2 US20090263451 US20060182789 US20090263461 WO2005016440A1 US20100041689 EP2153819A2 WO1999015210A2 US7511158 EP2124909A2 US5684018 WO2003051400A1 WO2010063030A2 US7455654 US7122198 US20050153873 EP1753418A2 US20050054559 US20090263444 EP2246049A2 US20050271684 EP1866323A2 US20030235595 US20070269379 US20030171303 EP1605912A2 WO2005010011A2 US20060040864 EP0538469A1 EP1807033A2 US20010002404 US20090005722 EP1931760A2 WO2005016441A1 WO1994023748A1 US7678782 EP1716115A2 US20030114460 EP1737434A2 EP2001453A2 EP2174658A1 US20070293814 US20020102217 EP1158973A2 EP1579198A1 US6221383 US20100152649 US20060110428 EP1501817A1 US20020099041 US20060030551 US20040141922 WO2005112984A2 WO2007030375A2 WO2005070961A1 WO2005044333A2 US20030153530 WO2002028883A1 EP0777479A1 WO1996018605A1 US6756395 WO2010141470A2 WO2006020842A1 WO2010078300A1 WO2006020841A2 US7838552 EP1021204B1 US6955888 US20050123507 US20070293816 EP2250143A2 US20100087667 US20040106589 US7491383 WO2002044324A2 US20060034902 US6680047 US20050032900 US20070299388 US20100226966 EP2113246A1 EP1778203A2 US20050002865 WO2005117858A2 US20050281772 WO2009129432A2 US5135929 WO1999030690A1 US20080226687 WO2003091236A1 WO2002028882A1 US6984634 US20070037988 US20100160895 EP1735469A2
Nikkaji J447.680H
PubChem 15010
PubChem: Thomson Pharma 15122026

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