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Christopher Southan
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The paper has recently gone OA and details of the workshop are here http://www.bio-itworldexpo.com/Bio-It_Expo_Content.aspx?id=172028. Sharing with interested parties appreciated. 
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Fruits of many folks labour, good to see it drawn together.

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This latest post completes all the sources above 5 million

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Christopher Southan commented on a post on Blogger.
The fruits of a lot of antimalarial research are in this paper. I have added the live PubChem links for compounds that have them

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A detailed breakdown of PubChem sources, starting with the largest three, the vendors Auroa, Akos and ZINC

This blog post epands a bit on the subject of tracking down synthesis information via database entries

https://cdsouthan.blogspot.se/2016/04/digging-out-med-chem-synthesis-details.html

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Mapping (most of) the structures to CIDs

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Christopher Southan commented on a post on Blogger.
I agree of course that  at the community level, we should turn over all the stones,  but you can appreciate I am only  ploughing the protease furrow just now, mainly to illustrate some "ferreting" approaches others may care to consolidate.  JFTR that paper you linked has a useful author-deposited SMILEs  and SAR file,  as supplementary data .csv

Compound;SMILE;DENV-2 EC50 (_M);DENV-2 CC50 (_M);SI (CC50/EC50);c-Src IC50 (_M);Fyn IC50 (_M)

4a;O=C1C=C(OCC2=CC=CC(F)=C2)C=C(C)N1CC3=CC=C(Cl)C=C3;<4.8 ;<4.8 ;ND;40.0;NA
4b;O=C1C=C(OCC2=CC=CC(F)=C2)C=C(C)N1CC3=CC=C(OC)C=C3;<6.4 ;<6.4 ;ND;NA;NA
4c;O=C1C=C(OCC2=CC=C(F)C=C2F)C=C(C)N1CC3=CC=C(C(F)(F)F)C=C3;<6.4 ;<6.4 ;ND;ND;ND
4d;O=C1C=C(OCC2=CC=C(F)C=C2F)C=C(C)N1CC3=CC=C(C4=CC=CC=C4)C=C3;<4.6 ;<4.6 ;ND;ND;ND
4e;O=C1C=C(OCC2=CC=C(F)C=C2F)C=C(C)N1CC3=CC=C(OC)C=C3;NA;10;ND;ND;ND
6a;O=C1C=C(OCC2=CC=C(F)C=C2F)C=C(C)N1CC3=CN(CC4=CC=CC(Br)=C4)N=N3;NA;36;ND;ND;ND
6b;O=C1C=C(OCC2=CC=C(F)C=C2F)C=C(C)N1CC3=CN(CC4=CC=CC(C(F)(F)F)=C4)N=N3;NA;40;ND;NA;NA
13a;N#CC1=C(NC2=CC=C(Cl)C=C2Cl)C3=CC=C(OC)C=C3N=C1;NA;19;ND;24.4 ;2.0
13b;N#CC1=C(NC2=CC=C(Cl)C=C2Cl)C3=CC(OC)=C(OC)C=C3N=C1;<5.7 ;<5.7 ;ND;0.62 ;0.22
13c;N#CC1=C(NC2=CC=C(N3CCN(C)CC3)C=C2)C4=CC=C(OC)C=C4N=C1;NA;7.9 ;ND;NA;NA
16a;O=S(C1=CC=C(NC2=C3N=CNC3=NC(N4CCN(CCO)CC4)=N2)C=C1)(N)=O;NA;437;ND;7.4;4.8
16b;OCCN1CCN(C2=NC(NC3=CC=CC=C3)=C4N=CNC4=N2)CC1;NA;474;ND;4.2;4.2
16c;O=S(C1=CC=C(NC2=C3N=CNC3=NC(N4CCOCC4)=N2)C=C1)(N)=O;NA;373;ND;0.9;0.5
16d;CC(C1=CC=C(NC2=C3N=CNC3=NC(NCCC(C)C)=N2)C=C1)=O;59;85;1;ND;ND
16e;CC(C1=CC=C(NC2=C3N=CNC3=NC(NC)=N2)C=C1)=O;42 ± 28 ;>177 ;>4;ND;ND
16f;CC(C1=CC=C(NC2=C3N=CNC3=NC(NCCO)=N2)C=C1)=O;72;160;2;ND;ND
16g;OC1=CC=CC(NC2=C3N=CNC3=NC(NCC4=CC=CC=C4)=N2)=C1;69;>150 ;>2;3.7;4.1
16h;OC1=CC=CC(NC2=C3N=CNC3=NC(NCCC(C)C)=N2)=C1;20 ± 7.7 ;151 ± 19  ;8;1.7;1.7
16i;OC1=CC=CC(NC2=C3N=CNC3=NC(NC)=N2)=C1;5.3 ± 6.6;168 ± 30;32;4.9;3.6
16l;OC1=CC=CC(NC2=C3N=CNC3=NC(NCCO)=N2)=C1;10 ± 6.0;>149 ;>15;1.1;0.7
16m;OC1=CC=CC(NC2=C3N=CNC3=NC(NCCC4=CNC=N4)=N2)=C1;7.4 ±0.7;>175 ;>24;2.6;2.1

Unfortunately the lead 16i is not yet in ChEMBL or PubChem

IUPAC: 3-{[2-(methylamino)-9H-purin-6-yl]amino}phenol
Smiles: CNC1=NC(NC2=CC(O)=CC=C2)=C2N=CNC2=N1
InChI: 1S/C12H12N6O/c1-13-12-17-10-9(14-6-15-10)11(18-12)16-7-3-2-4-8(19)5-7/h2-6,19H,1H3,(H3,13,14,15,16,17,18)
InChI key: PUGZAQJVUJDBHJ-UHFFFAOYSA-N
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