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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1516410
CHEMBL1516410
Compound Name ECADOTRIL
ChEMBL Synonyms Sinorphan | Ecadotril | BP 1.02 | S.049 | BAY-Y-7432
Max Phase 0
Trade Names
Molecular Formula C21H23NO4S

Additional synonyms for CHEMBL1516410 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2
Standard InChI InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21( ...
Download InChI
Standard InChI Key ODUOJXZPIYUATO-LJQANCHMSA-N

Molecule Features

CHEMBL1516410 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

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

Structural Alerts

There are 8 structural alerts for CHEMBL1516410. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1516410

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 CHEMBL1516410. 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
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL3369 Neprilysin Rattus norvegicus 1.000
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL3768 Neprilysin Oryctolagus cuniculus 1.000
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 1.000
CHEMBL4072 Cathepsin B Homo sapiens 1.000
CHEMBL2590 Aminopeptidase N Sus scrofa 1.000
CHEMBL4779 Papain Carica papaya 1.000
CHEMBL3736 Angiotensin-converting enzyme 2 Homo sapiens 1.000
CHEMBL3563 Cruzipain Trypanosoma cruzi 0.999
CHEMBL3837 Cathepsin L Homo sapiens 0.999
CHEMBL3891 Calpain 1 Homo sapiens 0.996
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.994
CHEMBL3392 Thermolysin Bacillus thermoproteolyticus 0.991
CHEMBL1944 Neprilysin Homo sapiens 0.984
CHEMBL2382 Calpain 2 Homo sapiens 0.853
CHEMBL2940 Immunoglobulin epsilon Fc receptor Homo sapiens 0.824
CHEMBL2857 Human rhinovirus A protease Human rhinovirus sp. 0.820
CHEMBL4662 Proteasome Macropain subunit MB1 Homo sapiens 0.784
CHEMBL2323 Cathepsin B Bos taurus 0.553



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL3369 Neprilysin Rattus norvegicus 1.000
CHEMBL3392 Thermolysin Bacillus thermoproteolyticus 1.000
CHEMBL3768 Neprilysin Oryctolagus cuniculus 1.000
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL3736 Angiotensin-converting enzyme 2 Homo sapiens 1.000
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 1.000
CHEMBL2590 Aminopeptidase N Sus scrofa 1.000
CHEMBL3837 Cathepsin L Homo sapiens 1.000
CHEMBL4779 Papain Carica papaya 0.996
CHEMBL4072 Cathepsin B Homo sapiens 0.996
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.992
CHEMBL1944 Neprilysin Homo sapiens 0.983
CHEMBL2323 Cathepsin B Bos taurus 0.972
CHEMBL2940 Immunoglobulin epsilon Fc receptor Homo sapiens 0.971
CHEMBL3891 Calpain 1 Homo sapiens 0.966
CHEMBL1907 Aminopeptidase N Homo sapiens 0.716
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.366
CHEMBL2382 Calpain 2 Homo sapiens 0.338
CHEMBL4662 Proteasome Macropain subunit MB1 Homo sapiens 0.245

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
385.5 385.1348 3.13 11 97.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.63 - 3.74 3.74 2 27 0.6

Compound Cross References

ChemSpider ChemSpider:ODUOJXZPIYUATO-LJQANCHMSA-N
PubChem SID: 11112861 SID: 144204251 SID: 170466653
Wikipedia Racecadotril

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1516410



ACToR 81110-73-8 112573-73-6
FDA SRS 6XSR933SRK
IBM Patent System E7EC3FF3276B91752D7634A67844CD5D
IBM Patents US20100227873 WO2010047982A1 US20090209562 EP1853295A2 EP2118059A1 WO2007107550A1 WO2006105217A2 US7776889 WO2008083200A2 US7494979 EP1915157A2 EP1648457A2 US7442712 WO2009149279A2 US20100081643 US20090005380 EP2146997A1 US20100120769 EP1862181A2 WO2007016677A2 EP1885726A2 WO2010062863A2 EP2139332A1 WO2009124103A2 US20070066630 US20040116357 WO2010022313A2 US20070122474 US20090306139 EP2078012A2 WO2009042053A2 US20100240622 EP1517908A2 EP1802623A1 EP1909772A1 EP2019679A2 WO2008015125A1 US20090022729 US7589096 US20080188487 WO2007101158A2 EP2215262A2 US20070173495 WO2008133896A2 US20100069306 US20090318477 US20100120743 EP2231160A1 US20090069311 WO2007080140A1 US7351708 WO2005060603A2 US7790731 US20020192301 US20100183519 EP1971340A2 EP1863778A2 US20070281921 EP1786774B1 US20100152118 US7414057 US20080171761 WO2008110196A1 WO2010141470A2 WO2010136144A1 EP1982984A2 WO2010078300A1 EP1615698B1 US20070203193 WO2008077092A2 US7427600 US20080188533 US20080275093 EP1741703A1 US7304078 US20090186834 WO2008094476A1 WO2009073118A1 EP2001484A2 EP1615647A2 WO2004098538A2 US20050209266 WO2007068641A1 WO2008051406A2 US20100063032 WO2010011821A2 WO2005021039A1 US20050182045 US7772188 EP1804795A2 US7534788 WO2008101914A2 US20070299070 EP2038255A2 US20080188426 WO2006102069A2 US20050113314 WO2010120817A2 WO2006019787A2 WO2004089367A1
Nikkaji J291.384D
PubChem 60561
PubChem: Thomson Pharma 14780429 14804907
SureChEMBL SCHEMBL48974
ZINC ZINC01546844

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