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OpenSourceMalaria / Series4

Repository for Series 4 of the Open Source Malaria Consortium
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KinomeScan of Series 4 and telesubstitution compounds #69

Open maratsydney opened 5 years ago

maratsydney commented 5 years ago

Today 10 compounds were shipped to University of North Carolina for kinase screening. In particular were picked couples of 5- and 8-isomers to see any complementary biological activity. As well few active series 4 compounds (including OHOH) will be evaluated to estimate their selectivity. Kinase screening compounds

Internal ID OSM ID MMV ID SMILES InChI CnChI Key
MK113-1a OSM-S-294 MMV689970 C12=NN=C(C3=CC=CC=C3)N1C(OCCC4=CC=CC=C4)=CN=C2 InChI=1S/C19H16N4O/c1-3-7-15(8-4-1)11-12-24-18-14-20-13-17-21-22-19(23(17)18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2 YRTHPBSIEMFKFB-UHFFFAOYSA-N
MK126-1b OSM-S-622 MMV1634437 COC(C=C1)=CC=C1C2=NN=C3C(OCCC4=CC=CC=C4)=NC=CN32 InChI=1S/C20H18N4O2/c1-25-17-9-7-16(8-10-17)18-22-23-19-20(21-12-13-24(18)19)26-14-11-15-5-3-2-4-6-15/h2-10,12-13H,11,14H2,1H3 KNDAUWHMGBUKCB-UHFFFAOYSA-N
MK114-1a OSM-S-623 MMV1634432 COC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC=CC=C4)N32 InChI=1S/C20H18N4O2/c1-25-17-9-7-16(8-10-17)20-23-22-18-13-21-14-19(24(18)20)26-12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3 FOEYJDQRLPZFOG-UHFFFAOYSA-N
MK121-1b OSM-S-627 MMV1634439 COC(C=C1)=CC=C1C2=NN=C3C(SCCC4=CC=CC=C4)=NC=CN32 InChI=1S/C20H18N4OS/c1-25-17-9-7-16(8-10-17)18-22-23-19-20(21-12-13-24(18)19)26-14-11-15-5-3-2-4-6-15/h2-10,12-13H,11,14H2,1H3 GEUZYLOQEWPPTC-UHFFFAOYSA-N
MK127-1a OSM-S-626 MMV1634434 COC(C=C1)=CC=C1C2=NN=C3C=NC=C(SCCC4=CC=CC=C4)N32 InChI=1S/C20H18N4OS/c1-25-17-9-7-16(8-10-17)20-23-22-18-13-21-14-19(24(18)20)26-12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3 XKLPATLXLSUHOI-UHFFFAOYSA-N
MK105-2 OSM-S-617 - C1(NCCC2=CC=CC=C2)=NC=CN3C1=NN=C3 InChI=1S/C13H13N5/c1-2-4-11(5-3-1)6-7-14-12-13-17-16-10-18(13)9-8-15-12/h1-5,8-10H,6-7H2,(H,14,15) ZKSCHIOOMCSXEE-UHFFFAOYSA-N
MK035-1 OSM-S-525 MMV1579341 FC1=CC(CCOC2=CN=CC3=NN=C(C4=CC=C5C(NC=C5)=C4)N32)=CC=C1F InChI=1S/C21H15F2N5O/c22-16-4-1-13(9-17(16)23)6-8-29-20-12-24-11-19-26-27-21(28(19)20)15-3-2-14-5-7-25-18(14)10-15/h1-5,7,9-12,25H,6,8H2 VHFREJHLTSVZGA-UHFFFAOYSA-N
MK139-1 OSM-S-621 MMV1634436 C1(OCCC2=CC=CC=C2)=NC=CN3C1=NN=C3C4=CC=CC=C4 InChI=1S/C19H16N4O/c1-3-7-15(8-4-1)11-14-24-19-18-22-21-17(23(18)13-12-20-19)16-9-5-2-6-10-16/h1-10,12-13H,11,14H2 BKUOBYRSGGKOSW-UHFFFAOYSA-N
MK117-2 OSM-S-632 MMV1634443 COC(C=C1)=CC=C1C2=NN=C3C(NCCC4=CC=CC=C4)=NC=CN32 InChI=1S/C20H19N5O/c1-26-17-9-7-16(8-10-17)19-23-24-20-18(22-13-14-25(19)20)21-12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H,21,22) ZZFSYDDMUBYAFS-UHFFFAOYSA-N
DGS 81-1 OSM-S-556 MMV1581295 FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)(O)C4=CC=CC=C4)N32 InChI=1S/C21H18F2N4O4/c22-20(23)31-16-8-6-14(7-9-16)19-26-25-17-10-24-11-18(27(17)19)30-13-21(29,12-28)15-4-2-1-3-5-15/h1-11,20,28-29H,12-13H2 LVBNVRWXODMMAV-UHFFFAOYSA-N

Compounds for kinase screening.zip

MFernflower commented 5 years ago

Possible progress updates? @maratsydney

maratsydney commented 5 years ago

@MFernflower We are still waiting for results.

mattodd commented 5 years ago

Waiting with considerable interest...