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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL509336
CHEMBL509336
Compound Name RACTOPAMINE
ChEMBL Synonyms Ractopamine | EL-737 | Ractopamine HCl
Max Phase 0
Trade Names
Molecular Formula C18H23NO3

Additional synonyms for CHEMBL509336 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(CCc1ccc(O)cc1)NCC(O)c2ccc(O)cc2
Standard InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22 ...
Download InChI
Standard InChI Key YJQZYXCXBBCEAQ-UHFFFAOYSA-N

Molecule Features

CHEMBL509336 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 clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 1 structural alerts for CHEMBL509336. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL509336

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 CHEMBL509336. 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
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL4031 Beta-3 adrenergic receptor Rattus norvegicus 1.000
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 1.000
CHEMBL4400 Beta-3 adrenergic receptor Canis lupus familiaris 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.993
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 0.977
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.897
CHEMBL3437 Amine oxidase, copper containing Homo sapiens 0.545
CHEMBL338 Dopamine transporter Rattus norvegicus 0.328
CHEMBL2382 Calpain 2 Homo sapiens 0.262



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL3754 Beta-2 adrenergic receptor Rattus norvegicus 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL4031 Beta-3 adrenergic receptor Rattus norvegicus 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 1.000
CHEMBL4400 Beta-3 adrenergic receptor Canis lupus familiaris 1.000
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.999
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.996
CHEMBL338 Dopamine transporter Rattus norvegicus 0.803
CHEMBL3437 Amine oxidase, copper containing Homo sapiens 0.758
CHEMBL4358 Arachidonate 15-lipoxygenase Oryctolagus cuniculus 0.749
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.696
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.640
CHEMBL2323 Cathepsin B Bos taurus 0.606
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.310

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
301.4 301.1678 3.11 7 72.72 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.97 9.23 2.2 .31 2 22 0.63

Compound Cross References

ChemSpider ChemSpider:YJQZYXCXBBCEAQ-UHFFFAOYSA-N
PubChem SID: 26758024
Wikipedia Ractopamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL509336



ACToR 97825-25-7
BindinDB 27959
ChEBI 82647
eMolecules 902385
IBM Patent System 267BCEBAE8993F2A5D916A2583F52392
IBM Patents WO2003077672A1 US6331289 US20090264477 EP2207537A2 US20100239707 US20100184865 EP2258359A2 EP2209469A2 US20040157834 EP1657234A1 EP2258358A2 EP0655203A1 US6261537 EP2076288A2 US20080188457 WO2010001391A1 US7678808 US5541188 US20040248984 EP1149842A2 US20090004235 EP1940389A2 WO2005018323A1 US20100010093 US20070122474 EP0604141A1 US20040058896 WO2009089296A2 US20010047030 US20020016298 US20090005722 EP1657235A2 WO2003033031A1 WO2007003425A2 US20050136096 WO2005036980A1 US7678363 US6696418 US20100120842 US20060292194 US4849453 US20080194694 WO2009043355A2 US20050064032 EP1656018A1 US20080167291 EP0655203B1 US20020091090 WO2001068137A2 EP0480934B1 WO2008036678A2 US7175854 EP0333349B1 EP0662324A1 WO2009020620A1 EP2125017A2 US7135497 US20040141922 WO2002018436A1 US20100035980 EP1937236A2 WO2007143336A2 WO1999009966A1 WO2009088879A1 WO2008096231A1 US5552442 US20090271162 US20100216734 EP2068872A1 US5216029 US4690951 EP0604141B1 WO2009032276A1 US20070042022 US6680047 US6495589 EP1086947A1 US20080108574 WO2008086483A2 EP0545582B1 EP0308157A2 US5422352 WO2005009426A1 US5530029 EP2118055A1 US20050002865 US20040235922 EP0308157B1 US4904662 US20070282010 US7622500 US20020102215 US20050020692 US20060223132 US20070112017 US20040058877 US6264917 US20080200540 WO2008039863A2 WO2007025177A2
MolPort MolPort-003-850-103
Nikkaji J453.180I
PubChem 56052
PubChem: Thomson Pharma 14873840
SureChEMBL SCHEMBL144797

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