Evaluations vs Other Organisms
A selection of series 4 molecules ( + the s3 singleton) were sent to the CO-ADD organization for testing of possible antibacterial and anti-yeast activity as per https://github.com/OpenSourceMalaria/OSM_To_Do_List/issues/577. Data here and raw here.
Unfortunately all tested compounds didn't show inhibition higher than ~30%. All compounds were tested at a fixed concentration of 32 ug/mL.
| Internal ID | SMILES | InChI | CnChI Key |
|---|---|---|---|
| MK113-1a | 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 | 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 | 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 | 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 | 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 |
| MK096-1 | C12=NN=CN1C(OCCC3=CC=CC=C3)=CN=C2 | "InChI=1S/C13H12N4O/c1-2-4-11(5-3-1)6-9-18-13-12-16-15-10-17(12)8-7-14-13/h1-5,7-8,10H,6,9H2" | OVMOYCYDOGFLPO-UHFFFAOYSA-N |
| MK086-1 | C12=NN=CN1C(SCCC3=CC=CC=C3)=CN=C2 | "InChI=1S/C13H12N4S/c1-2-4-11(5-3-1)6-7-18-13-9-14-8-12-16-15-10-17(12)13/h1-5,8-10H,6-7H2" | SFKFITTZRQEVSE-UHFFFAOYSA-N |
| MK105-2 | 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 |
| MK006-3 | C12=NN=CN1C(OCCC3=CC=CC=C3)=CN=C2 | "InChI=1S/C13H12N4O/c1-2-4-11(5-3-1)6-7-18-13-9-14-8-12-16-15-10-17(12)13/h1-5,8-10H,6-7H2" | VFFDMAJXCFVHJC-UHFFFAOYSA-N |
| MK035-1 | 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 |
| MK065-1 | FC1=CC(CCOC2=CN=CC3=NN=C(C4=CC=C(Cl)C(N)=C4)N32)=CC=C1F | "InChI=1S/C19H14ClF2N5O/c20-13-3-2-12(8-16(13)23)19-26-25-17-9-24-10-18(27(17)19)28-6-5-11-1-4-14(21)15(22)7-11/h1-4,7-10H,5-6,23H2" | UUAZLIWHOSTWRP-UHFFFAOYSA-N |
| MK067-1 | FC1=CC(CCOC2=CN=CC3=NN=C(C4=CC=CC(N)=C4)N32)=CC=C1F | "InChI=1S/C19H15F2N5O/c20-15-5-4-12(8-16(15)21)6-7-27-18-11-23-10-17-24-25-19(26(17)18)13-2-1-3-14(22)9-13/h1-5,8-11H,6-7,22H2" | CQZOPOXKTPBXOH-UHFFFAOYSA-N |
| MK041-1 | FC1=CC(CCOC2=CN=CC3=NN=C(C4=CC=C(N)C=C4)N32)=CC=C1F | "InChI=1S/C19H15F2N5O/c20-15-6-1-12(9-16(15)21)7-8-27-18-11-23-10-17-24-25-19(26(17)18)13-2-4-14(22)5-3-13/h1-6,9-11H,7-8,22H2" | PGJZGRJIPPSPJV-UHFFFAOYSA-N |
| MK094-1 | C1(SCCC2=CC=CC=C2)=NC=CN3C1=NN=C3 | "InChI=1S/C13H12N4S/c1-2-4-11(5-3-1)6-9-18-13-12-16-15-10-17(12)8-7-14-13/h1-5,7-8,10H,6,9H2" | QGQSZEIXFAHGEY-UHFFFAOYSA-N |
| MK139-1 | 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 |
| MK091-2 | FC1=CC(CCOC2=CN=CC3=NN=C(C4=CC5=C(C=C4)N=CN5)N32)=CC=C1F | "InChI=1S/C20H14F2N6O/c21-14-3-1-12(7-15(14)22)5-6-29-19-10-23-9-18-26-27-20(28(18)19)13-2-4-16-17(8-13)25-11-24-16/h1-4,7-11H,5-6H2,(H,24,25)" | OKICKLNNAMYKHW-UHFFFAOYSA-N |
| MNB6-8 | NC1=C2C(C=C(C3=CC(S(N)(=O)=O)=CC=C3)S2)=NC=N1 | "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)" | MQMXDJVOZKMSNT-UHFFFAOYSA-N |