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27th June 2014 @ 12:15

Compounds in OSM Series 4 and Series 3, as well as some compounds synthesised at the start of an open source TB project, were submitted to GSK for potency evaluation: Compounds Submitted for Testing at GSK Tres Cantos for anti-malarial and anti-TB activity

Single shot data received from GSK (Laura Maria Sanz-Alonso) on June 27th 2014. Data are the percentage of inhibition in the single shot experiment conducted in a P. falciparum whole cell assay conducted at 2 uM. Compounds with a percentage of inhibition 50% are going to be progressed to IC50 determination assays and those data will be reported separately.

Discussion/Comments: Either below, or on this Google+ post

To be discussed during: OSM Online Project Meeting 8 (3rd July 2014)

Series 4

OSM Series 4 Single Shot Potencies

Series 3

OSM Series 3 Single Shot Potencies June 2014

TB

Inherited TB Compounds, Single Shot Potencies June 2014


 

Strings

OSM-S-106 Preparation of OSM-S-106 O=S(C1=CC=CC(C2=CC3=NC=NC(N)=C3S2)=C1)(N)=O InChI=1S/C12H10N4O2S2/c13-12-11-9(15-6-16-12)5-10(19-11)7-2-1-3-8(4-7)20(14,17)18/h1-6H,(H2,13,15,16)(H2,14,17,18)
OSM-S-139 Preparation of OSM-S-139 BrC1=CC2=NC=NC(N)=C2S1 InChI=1S/C6H4BrN3S/c7-4-1-3-5(11-4)6(8)10-2-9-3/h1-2H,(H2,8,9,10)
OSM-S-140 ???? BrC1=CC2=NC=NC(NN)=C2S1 InChI=1S/C6H5BrN4S/c7-4-1-3-5(12-4)6(11-8)10-2-9-3/h1-2H,8H2,(H,9,10,11)
OSM-S-141 ???? CN(C)C1=C2C(C=CS2)=NC=N1 InChI=1S/C8H9N3S/c1-11(2)8-7-6(3-4-12-7)9-5-10-8/h3-5H,1-2H3
OSM-S-142 Preparation of OSM-S-142 NC1=C2C(C=C(C3=CC(C(N4CCN(C)CC4)=O)=CC=C3)S2)=NC=N1 InChI=1S/C18H19N5OS/c1-22-5-7-23(8-6-22)18(24)13-4-2-3-12(9-13)15-10-14-16(25-15)17(19)21-11-20-14/h2-4,9-11H,5-8H2,1H3,(H2,19,20,21)
OSM-S-143 Preparation of OSM-S-143 ClC1=C2C(C=C(C3=CC(S(N)(=O)=O)=CC=C3)S2)=NC=N1 InChI=1S/C12H8ClN3O2S2/c13-12-11-9(15-6-16-12)5-10(19-11)7-2-1-3-8(4-7)20(14,17)18/h1-6H,(H2,14,17,18)
OSM-S-145 Preparation of OSM-S-145 NS(C1=CC=CC(C2=CC3=NC=NC(N(C)C)=C3S2)=C1)(=O)=O InChI=1S/C14H14N4O2S2/c1-18(2)14-13-11(16-8-17-14)7-12(21-13)9-4-3-5-10(6-9)22(15,19)20/h3-8H,1-2H3,(H2,15,19,20)
OSM-S-187 Preparation of OSM-S-187 N#CC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC=CC=C4)N32 InChI=1S/C20H15N5O/c21-12-16-6-8-17(9-7-16)20-24-23-18-13-22-14-19(25(18)20)26-11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-11H2
OSM-S-188 Preparation of OSM-S-188 N#CC(C=C1)=CC=C1C2=NN=C3C=NC=C(SCCC4=CC=CC=C4)N32 InChI=1S/C20H15N5S/c21-12-16-6-8-17(9-7-16)20-24-23-18-13-22-14-19(25(18)20)26-11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-11H2
OSM-S-189 Preparation of OSM-S-189 ClC1=CC=CC=C1CCOC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32 InChI=1S/C20H14ClN5O/c21-17-4-2-1-3-15(17)9-10-27-19-13-23-12-18-24-25-20(26(18)19)16-7-5-14(11-22)6-8-16/h1-8,12-13H,9-10H2
OSM-S-190 Preparation of OSM-S-190 ClC1=CC=CC(CCNC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32)=C1 InChI=1S/C20H15ClN6/c21-17-3-1-2-14(10-17)8-9-24-18-12-23-13-19-25-26-20(27(18)19)16-6-4-15(11-22)5-7-16/h1-7,10,12-13,24H,8-9H2
OSM-S-191 Preparation of OSM-S-191 ClC(C=C1)=CC=C1C2=NN=C3C=NC=C(NCCC4=CC(Cl)=CC=C4)N32 InChI=1S/C19H15Cl2N5/c20-15-6-4-14(5-7-15)19-25-24-18-12-22-11-17(26(18)19)23-9-8-13-2-1-3-16(21)10-13/h1-7,10-12,23H,8-9H2
OSM-S-194 Preparation of OSM-S-194 C12=CC=CC=C1C3=C(C4(CCN(CC5=CC=CC=C5)CC4)OCC3)N2 InChI=1S/C22H24N2O/c1-2-6-17(7-3-1)16-24-13-11-22(12-14-24)21-19(10-15-25-22)18-8-4-5-9-20(18)23-21/h1-9,23H,10-16H2
OSM-S-195 Preparation of OSM-S-195 ClC1=C2C(C3(CCN(CC4=CC=CC=C4)CC3)OCC2)=CC=C1 InChI=1S/C20H22ClNO/c21-19-8-4-7-18-17(19)9-14-23-20(18)10-12-22(13-11-20)15-16-5-2-1-3-6-16/h1-8H,9-15H2
OSM-S-196 Preparation of OSM-S-196 COC1=C(OC)C=C(C2(CCN(CC3=CC=CC=C3)CC2)OCC4)C4=C1 InChI=1S/C22H27NO3/c1-24-20-14-18-8-13-26-22(19(18)15-21(20)25-2)9-11-23(12-10-22)16-17-6-4-3-5-7-17/h3-7,14-15H,8-13,16H2,1-2H3
OSM-S-197 Preparation of OSM-S-197 C12=CC=CC=C1C3=C(C4(CCNCC4)OCC3)N2 InChI=1S/C15H18N2O/c1-2-4-13-11(3-1)12-5-10-18-15(14(12)17-13)6-8-16-9-7-15/h1-4,16-17H,5-10H2
OSM-S-198 Preparation of OSM-S-198 C1(C2(CCN(CC3=CC=CC=C3)CC2)OCC4)=C4C=CS1 InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)17-16(6-12-20-18)7-13-21-17/h1-5,7,13H,6,8-12,14H2
OSM-S-199 Preparation of OSM-S-199 C1(C(C=CC=C2)=C2N3)=C3C4(CCN(CC5=CC=C(OCCO6)C6=C5)CC4)OCC1 InChI=1S/C24H26N2O3/c1-2-4-20-18(3-1)19-7-12-29-24(23(19)25-20)8-10-26(11-9-24)16-17-5-6-21-22(15-17)28-14-13-27-21/h1-6,15,25H,7-14,16H2
OSM-S-200 Preparation of OSM-S-200 C12=CC=CC=C1C3=C(C4(CCN(CC5=CC=CC=C5)CC4)OCC3)S2 InChI=1S/C22H23NOS/c1-2-6-17(7-3-1)16-23-13-11-22(12-14-23)21-19(10-15-24-22)18-8-4-5-9-20(18)25-21/h1-9H,10-16H2
OSM-S-201 Preparation of OSM-S-201 O=C(NC1=CC=CC(Cl)=C1C)C2=CN=CC(N23)=NN=C3C4=CC=C(OC(F)F)C=C4 InChI=1S/C20H14ClF2N5O2/c1-11-14(21)3-2-4-15(11)25-19(29)16-9-24-10-17-26-27-18(28(16)17)12-5-7-13(8-6-12)30-20(22)23/h2-10,20H,1H3,(H,25,29)
OSM-S-202 OSM-S-202 O=C(NC1=CC=CC(Cl)=C1)C2=CN=CC(N23)=NN=C3C4=CC=C(OC(F)F)C=C4 InChI=1S/C19H12ClF2N5O2/c20-12-2-1-3-13(8-12)24-18(28)15-9-23-10-16-25-26-17(27(15)16)11-4-6-14(7-5-11)29-19(21)22/h1-10,19H,(H,24,28)
OSM-S-204 OSM-S-204 O=C(NC1=CC=CC(Cl)=C1F)C2=CN=CC(N23)=NN=C3C4=CC=C(OC(F)F)C=C4 InChI=1S/C19H11ClF3N5O2/c20-12-2-1-3-13(16(12)21)25-18(29)14-8-24-9-15-26-27-17(28(14)15)10-4-6-11(7-5-10)30-19(22)23/h1-9,19H,(H,25,29)
OSM-S-206 Preparation of OSM-S-206 O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C2=CN=CC3=NN=C(C4=CC=C(OC(F)F)C=C4)N32 InChI=1S/C21H11F8N5O2/c22-19(23)36-14-3-1-10(2-4-14)17-33-32-16-9-30-8-15(34(16)17)18(35)31-13-6-11(20(24,25)26)5-12(7-13)21(27,28)29/h1-9,19H,(H,31,35)
OSM-S-207 OSM-S-207 O=C(N1CC(C(F)=CC=C2)=C2C1)C3=CN=CC4=NN=C(C5=CC=C(OC(F)F)C=C5)N43 InChI=1S/C21H14F3N5O2/c22-16-3-1-2-13-10-28(11-15(13)16)20(30)17-8-25-9-18-26-27-19(29(17)18)12-4-6-14(7-5-12)31-21(23)24/h1-9,21H,10-11H2
OSM-S-208 OSM-S-208 FC1=C(F)C=CC(C(OC)COC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32)=C1 InChI=1S/C21H15F2N5O2/c1-29-18(15-6-7-16(22)17(23)8-15)12-30-20-11-25-10-19-26-27-21(28(19)20)14-4-2-13(9-24)3-5-14/h2-8,10-11,18H,12H2,1H3
OSM-S-209 Preparation of OSM-S-209 C1(CCOC23CCN(CC4=CC=CC=C4)CC3)=C2C=CS1 InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-5,7,13H,6,8-12,14H2
OSM-S-210 Preparation of OSM-S-210 C1(CCOC23CCN(CC4=CC(OCCO5)=C5C=C4)CC3)=C2C=CS1 InChI=1S/C20H23NO3S/c1-2-17-18(23-11-10-22-17)13-15(1)14-21-7-5-20(6-8-21)16-4-12-25-19(16)3-9-24-20/h1-2,4,12-13H,3,5-11,14H2
OSM-S-211 Preparation OSM-S-211 C1(CCOC23CCN(CC4=CC(OCO5)=C5C=C4)CC3)=C2C=CS1 InChI=1S/C19H21NO3S/c1-2-16-17(22-13-21-16)11-14(1)12-20-7-5-19(6-8-20)15-4-10-24-18(15)3-9-23-19/h1-2,4,10-11H,3,5-9,12-13H2
OSM-S-212 Preparation of OSM-S-212 ClC(C=C1)=CC=C1CN(CC2)CCC32C4=C(SC=C4)CCO3 InChI=1S/C18H20ClNOS/c19-15-3-1-14(2-4-15)13-20-9-7-18(8-10-20)16-6-12-22-17(16)5-11-21-18/h1-4,6,12H,5,7-11,13H2
OSM-S-213 Preparation of OSM-S-213 BrC(C=C1)=CC=C1C(N(CC2)CCC32C4=C(SC=C4)CCO3)=O InChI=1S/C18H18BrNO2S/c19-14-3-1-13(2-4-14)17(21)20-9-7-18(8-10-20)15-6-12-23-16(15)5-11-22-18/h1-4,6,12H,5,7-11H2
OSM-S-214 Preparation of OSM-S-214 FC(C=C1)=CC=C1N2C(C)=CC(CN(CC3)CCC43C5=C(SC=C5)CCO4)=C2C InChI=1S/C24H27FN2OS/c1-17-15-19(18(2)27(17)21-5-3-20(25)4-6-21)16-26-11-9-24(10-12-26)22-8-14-29-23(22)7-13-28-24/h3-6,8,14-15H,7,9-13,16H2,1-2H3
OSM-S-215 Preparation of OSM-S-215 C1(CCOC23CCN(C4CCCCC4)CC3)=C2C=CS1 InChI=1S/C17H25NOS/c1-2-4-14(5-3-1)18-10-8-17(9-11-18)15-7-13-20-16(15)6-12-19-17/h7,13-14H,1-6,8-12H2
OSM-S-216 Preparation of OSM-S-216 O=C(C1=CC=CC=C1)N(CC2)CCC32C4=C(SC=C4)CCO3 InChI=1S/C18H19NO2S/c20-17(14-4-2-1-3-5-14)19-10-8-18(9-11-19)15-7-13-22-16(15)6-12-21-18/h1-5,7,13H,6,8-12H2
OSM-S-217 Preparation of OSM-S-217 O=C(OCCCl)N(CC1)CCC21C3=C(SC=C3)CCO2 InChI=1S/C14H18ClNO3S/c15-5-9-18-13(17)16-6-3-14(4-7-16)11-2-10-20-12(11)1-8-19-14/h2,10H,1,3-9H2
OSM-S-219 Preparation of OSM-S-219 ClC1=CN=CC2=NN=C(C3=CC=C(C#N)C=C3)N21 InChI=1S/C12H6ClN5/c13-10-6-15-7-11-16-17-12(18(10)11)9-3-1-8(5-14)2-4-9/h1-4,6-7H
OSM-S-220 Preparation of OSM-S-220 ClC1=CN=CC2=NN=C(C(C=C3)=CC=C3Cl)N21 InChI=1S/C11H6Cl2N4/c12-8-3-1-7(2-4-8)11-16-15-10-6-14-5-9(13)17(10)11/h1-6H

Linked Posts
Attached Files
Series 4 Compounds with Single Shot.png
20140627_Pf whole cell_single shot.xlsx
Series 4 Compounds with Single Shot.cdxml
Series 3 Compounds with Single Shot.cdxml
Series 3 Compounds with Single Shot.png
TB Inherited Compounds with Single Shot.cdxml
TB Inherited Compounds with Single Shot.png