OpenSourceMalaria:Other GSK Series Under Consideration

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== Other GSK Series Under Consideration ==
== Other GSK Series Under Consideration ==
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The team have focused on the synthesis and evaluation of two series (the aryl pyrroles and aminothienopyrimidines) to date. The focus of the project could change quite rapidly following the receipt of new biological data (for highly active or inactive compounds). This page highlights other GSK compounds from the TCAMS data that look attractive.  
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The team have focused on the synthesis and evaluation of two series (the [http://openwetware.org/wiki/OSDDMalaria:GSK_Arylpyrrole_Series aryl pyrrolesand [http://openwetware.org/wiki/OSDDMalaria:GSK_Amino-thienopyrimidine_Series aminothienopyrimidines]) to date. The focus of the project could change quite rapidly following the receipt of new biological data (for highly active or inactive compounds). This page highlights other GSK compounds from the TCAMS data that look attractive.
== TCMDC 137332 ==
== TCMDC 137332 ==
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This compound looked attractive as analogues could be readily assembled from commercial starting materials in 2-3 steps. Therefore, a number of compounds could be evaluated relatively quickly. It also looks to be an attractive target for undergraduate classes.
[[Image:TCMDC137322.png|thumb|center|540px|Scheme 1: TCMDC 137332]] <br>
[[Image:TCMDC137322.png|thumb|center|540px|Scheme 1: TCMDC 137332]] <br>
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InChI=1S/C17H18ClNO2/c1-17(2,3)16(20)19-14-6-4-5-7-15(14)21-13-10-8-12(18)9-11-13/h4-11H,1-3H3,(H,19,20)
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InChI=1S/C17H18ClNO2/c1-17(2,3)16(20)19-14-6-4-5-7-15(14)21-13-10-8-12(18)9-11-13/h4-11H,1-3H3,(H,19,20) <br>
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ClC(C=C1)=CC=C1OC2=CC=CC=C2NC(C(C)(C)C)=O
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ClC(C=C1)=CC=C1OC2=CC=CC=C2NC(C(C)(C)C)=O <br>
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Citations for exact structure search:
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'''Citations for exact structure search:''' <br>
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DOI:10.1021/ml200135p – GSK Paper on Open Innovation
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1. [http://pubs.acs.org/doi/abs/10.1021/ml200135p DOI:10.1021/ml200135p] – GSK Paper on Open Innovation <br>
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WO 1994-GB1409 – Preparation of anti-atherosclerotic diaryl compound, The Wellcome Foundation <br>
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2. [http://patentscope.wipo.int/search/en/WO1995001326 WO 1994-GB1409] – Preparation of anti-atherosclerotic diaryl compound, The Wellcome Foundation <br>
''Atherosclerosis  –  The clogging or hardening of arteries or blood vessels caused by plaques (accumulations of fatty deposits, usually cholesterol'' <br>
''Atherosclerosis  –  The clogging or hardening of arteries or blood vessels caused by plaques (accumulations of fatty deposits, usually cholesterol'' <br>
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InChi Search:
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'''InChi Search:''' <br>
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No hits on Google
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No hits on Google <br>
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Citations for sub-structure search:
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'''Citations for sub-structure search:''' <br>
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WO 2000-EP1224 –  Preparation of phenyl and pyridinyl derivatives as NK-1 receptor antagonists, 2 F. Hoffmann La Roche <br>
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1. WO 2000-EP1224 –  Preparation of phenyl and pyridinyl derivatives as NK-1 receptor antagonists, ''F. Hoffmann La Roche'' <br>
''Neurokinin 1 (NK), Antagonists – Novel class of medication possessing antidepressant, anxiolytic and antiemetic action'' <br>
''Neurokinin 1 (NK), Antagonists – Novel class of medication possessing antidepressant, anxiolytic and antiemetic action'' <br>
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ComGenex Compound (Scheme 2)
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2. ComGenex Compound (Scheme 2) <br>
[[Image:ComGenex.png|thumb|center|540px|Scheme 2: ComGenex Compound]] <br>
[[Image:ComGenex.png|thumb|center|540px|Scheme 2: ComGenex Compound]] <br>
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InChI=1S/C17H17Cl2NO2/c1-17(2,3)16(21)20-13-6-4-5-7-15(13)22-14-9-8-11(18)10-12(14)19/h4-10H,1-3H3,(H,20,21)
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InChI=1S/C17H17Cl2NO2/c1-17(2,3)16(21)20-13-6-4-5-7-15(13)22-14-9-8-11(18)10-12(14)19/h4-10H,1-3H3,(H,20,21) <br>
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ClC(C=C1)=CC(Cl)=C1OC2=CC=CC=C2NC(C(C)(C)C)=O
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ClC(C=C1)=CC(Cl)=C1OC2=CC=CC=C2NC(C(C)(C)C)=O <br>
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== Other Compounds ==
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If you would like to complete a similar 'factsheet' on any compounds from the [http://www.nature.com/nature/journal/v465/n7296/full/nature09107.html TCAMS data set] , and in particular from the [http://pubs.acs.org/doi/abs/10.1021/ml200135p 'most promising compounds'], please feel free to add to this page.

Revision as of 21:16, 12 May 2013

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Other GSK Series Under Consideration

The team have focused on the synthesis and evaluation of two series (the aryl pyrroles and aminothienopyrimidines) to date. The focus of the project could change quite rapidly following the receipt of new biological data (for highly active or inactive compounds). This page highlights other GSK compounds from the TCAMS data that look attractive.

TCMDC 137332

This compound looked attractive as analogues could be readily assembled from commercial starting materials in 2-3 steps. Therefore, a number of compounds could be evaluated relatively quickly. It also looks to be an attractive target for undergraduate classes.

Scheme 1: TCMDC 137332
Scheme 1: TCMDC 137332

InChI=1S/C17H18ClNO2/c1-17(2,3)16(20)19-14-6-4-5-7-15(14)21-13-10-8-12(18)9-11-13/h4-11H,1-3H3,(H,19,20)
ClC(C=C1)=CC=C1OC2=CC=CC=C2NC(C(C)(C)C)=O

Citations for exact structure search:
1. DOI:10.1021/ml200135p – GSK Paper on Open Innovation
2. WO 1994-GB1409 – Preparation of anti-atherosclerotic diaryl compound, The Wellcome Foundation
Atherosclerosis – The clogging or hardening of arteries or blood vessels caused by plaques (accumulations of fatty deposits, usually cholesterol

InChi Search:
No hits on Google

Citations for sub-structure search:
1. WO 2000-EP1224 – Preparation of phenyl and pyridinyl derivatives as NK-1 receptor antagonists, F. Hoffmann La Roche
Neurokinin 1 (NK), Antagonists – Novel class of medication possessing antidepressant, anxiolytic and antiemetic action
2. ComGenex Compound (Scheme 2)

Scheme 2: ComGenex Compound
Scheme 2: ComGenex Compound

InChI=1S/C17H17Cl2NO2/c1-17(2,3)16(21)20-13-6-4-5-7-15(13)22-14-9-8-11(18)10-12(14)19/h4-10H,1-3H3,(H,20,21)
ClC(C=C1)=CC(Cl)=C1OC2=CC=CC=C2NC(C(C)(C)C)=O


Other Compounds

If you would like to complete a similar 'factsheet' on any compounds from the TCAMS data set , and in particular from the 'most promising compounds', please feel free to add to this page.

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