Malaria Molecules, Click on "OSM Number" to see visualisation
 Share
The version of the browser you are using is no longer supported. Please upgrade to a supported browser.Dismiss

View only
 
 
ABCDEFGHIJKLMNOPQRSTUVWXYZAAABACADAEAFAGAHAIAJAKALAMANAOAPAQARASATAUAVAWAXAYAZBABBBCBDBEBFBGBHBIBJBKBLBMBNBOBPBQBRBSBTBUBVBWBXBYBZ
1
Internal IDPubChem CIDMMV IDSMILESInChIIChI Key
Series
AssaysPfaI EC50 (Inh)Pfal IC50 (GSK)Pfal IC50 (Syngene)Pfal IC50 (Dundee)Pfal IC50 (Avery)Pfal (K1) IC50 (Avery)Pfal IC50 (Ralph)Pfal IC50 (Guy)Pfal (K1) IC50 (Guy)Pfal IC50 (Batra)Pfal (K1) IC50 (Batra)Pfal (3D7) IC50 (Broad)Pfal (Dd2) IC50 (Broad)PfaI EC50 uMol (Mean) QualifierPfaI EC50 uMol (Mean)Single Shot Inhibition %PRR (Rate of Killing)PfATP4 'Test Set'
Ion Regulation (ANU)
DHODHLate Stage Gametocyte (Avery)Pb Liver StageHepG2
Cytotox HEK293 (120)
Cytotox HEK293 (40)Cytotox Vero MTTCytotox THP1hERG pIC50t1/2 HLM (Monash)t1/2 HLM (Inh)t1/2 MLM (Monash)t1/2 RLM (Inh)t1/2 RLM (Monash)t1/2 HCH (Monash)t1/2 RCH (Monash)t1/2 plasma Humant1/2 plasma MouseCLint HLM (Monash)
%remain plasma Human
%remain plasma Mouse
CLint HLM (Inh)CLint MLM (Monash)CLint RLM (Inh)CLint RLM (Monash)CLint HCH (Monash)CLint RCH (Monash)
EH H M'some (Monash)
EH M M'some (Monash)
EH R M'some (Monash)
EH H H'cyte (Monash)
EH R H'cyte (Monash)
LogD 3.0 (Monash)LogD 7.4 (Monash)
Sol 2.0 ug/mL (Monash)
Sol 6.5 ug/mL (Monash)
Sol 6.8 uM (Inh)Sol 7.4 uM (Inh)cPPB % (Monash)CL Rat (Inh)Vss Rat (Inh)T1/2 Rat (Inh)Tmax Rat (Inh)Oral F Rat (Inh)Dofetilide (Inh)Cerep (Inh)Vivo NOD/SCID ED90
Vivo Berghei %activity
Vivo Parasit Cl
Aldehyde Oxidase
CLint,app (µL/min/mg)
2
OSM-A-11233035
O=C(/C(S/1)=C/C2=C(C)N(C(C)=C2)C3=CC=C(S(=O)(N)=O)C=C3)NC1=N\C4=CC=CC=C4
InChI=1S/C22H20N4O3S2/c1-14-12-16(15(2)26(14)18-8-10-19(11-9-18)31(23,28)29)13-20-21(27)25-22(30-20)24-17-6-4-3-5-7-17/h3-13H,1-2H3,(H2,23,28,29)(H,24,25,27)/b20-13-
ODRSSOQWOHNABY-MOSHPQCFSA-N
13.054.3793.7145
3
OSM-A-10O=C([H])C1=C(C)N(C(C)=C1)C2=CC(OC)=CC=C2
InChI=1S/C14H15NO2/c1-10-7-12(9-16)11(2)15(10)13-5-4-6-14(8-13)17-3/h4-9H,1-3H3
XTPVHYRCFNPCRL-UHFFFAOYSA-N
1#DIV/0!
4
OSM-A-11IC1=CC=C(N2C(C)=CC=C2C)C=C1
InChI=1S/C12H12IN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3
CLGKGHWNVMDYQB-UHFFFAOYSA-N
1#DIV/0!
5
OSM-A-12IC1=CC=C(N2C(C)=CC(C([H])=O)=C2C)C=C1
InChI=1S/C13H12INO/c1-9-7-11(8-16)10(2)15(9)13-5-3-12(14)4-6-13/h3-8H,1-2H3
SSNYMKCLPCTDEB-UHFFFAOYSA-N
1#DIV/0!
6
OSM-A-2O=C(/C(S/1)=C/C2=C(C)N(C(C)=C2)C3=CC=C(C#N)C=C3)NC1=N\C4=CC=CC=C4
InChI=1S/C23H18N4OS/c1-15-12-18(16(2)27(15)20-10-8-17(14-24)9-11-20)13-21-22(28)26-23(29-21)25-19-6-4-3-5-7-19/h3-13H,1-2H3,(H,25,26,28)/b21-13-
LXPLFPVISCVJSC-BKUYFWCQSA-N
10.5741.8291.2015
7
OSM-A-3O=C(/C(S/1)=C/C2=C(C)N(C(C)=C2)C3=CC=C(I)C=C3)NC1=N\C4=CC=CC=C4
InChI=1S/C23H21N3O2S/c1-15-12-17(16(2)26(15)19-10-7-11-20(14-19)28-3)13-21-22(27)25-23(29-21)24-18-8-5-4-6-9-18/h4-14H,1-3H3,(H,24,25,27)/b21-13-
QRGVMORNNJFJKZ-BKUYFWCQSA-N
10.0980.140.119
8
OSM-A-4
InChI=1S/C22H18IN3OS/c1-14-12-16(15(2)26(14)19-10-8-17(23)9-11-19)13-20-21(27)25-22(28-20)24-18-6-4-3-5-7-18/h3-13H,1-2H3,(H,24,25,27)/b20-13-
LZWDTKNFRNEIKZ-MOSHPQCFSA-N
11.7453.1622.4535
9
OSM-A-5CC1=CC=C(C)N1C2=CC=C(S(=O)(N)=O)C=C2
InChI=1S/C12H14N2O2S/c1-9-3-4-10(2)14(9)11-5-7-12(8-6-11)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)
STHWURXTZRCILS-UHFFFAOYSA-N
1#DIV/0!
10
OSM-A-6O=C([H])C1=C(C)N(C(C)=C1)C2=CC=C(S(N)=O)C=C2
InChI=1S/C13H14N2O2S/c1-9-7-11(8-16)10(2)15(9)12-3-5-13(6-4-12)18(14)17/h3-8H,14H2,1-2H3
JYZXFZAZSQBBQH-UHFFFAOYSA-N
1#DIV/0!
11
OSM-A-7CC1=CC=C(C)N1C2=CC=C(C#N)C=C2
InChI=1S/C13H12N2/c1-10-3-4-11(2)15(10)13-7-5-12(9-14)6-8-13/h3-8H,1-2H3
FNDFKQYZEDOHRC-UHFFFAOYSA-N
1#DIV/0!
12
OSM-A-8O=C([H])C1=C(C)N(C(C)=C1)C2=CC=C(C#N)C=C2
InChI=1S/C14H12N2O/c1-10-7-13(9-17)11(2)16(10)14-5-3-12(8-15)4-6-14/h3-7,9H,1-2H3
AZYQCNIOZJETFM-UHFFFAOYSA-N
1#DIV/0!
13
OSM-A-9CC1=CC=C(C)N1C2=CC(OC)=CC=C2
InChI=1S/C13H15NO/c1-10-7-8-11(2)14(10)12-5-4-6-13(9-12)15-3/h4-9H,1-3H3
GVGRVGMGPYDHOB-UHFFFAOYSA-N
1#DIV/0!
14
OSM-E-1PT-1-10 57519183FC1=CC=C(N2C(C)=CC(S(N(C)CC(N)=O)(=O)=O)=C2C)C=C1
InChI=1S/C15H18FN3O3S/c1-10-8-14(23(21,22)18(3)9-15(17)20)11(2)19(10)13-6-4-12(16)5-7-13/h4-8H,9H2,1-3H3,(H2,17,20)
KRDORFFFZGUMFF-UHFFFAOYSA-N
1>50#DIV/0!
15
OSM-E-10PT-1-6; PT-1-7; PT-1-8; PT-1-9FC1=CC=C(N2C(C)=CC(S(N(C)CC(OC)=O)(=O)=O)=C2C)C=C1
InChI=1S/C16H19FN2O4S/c1-11-9-15(24(21,22)18(3)10-16(20)23-4)12(2)19(11)14-7-5-13(17)6-8-14/h5-9H,10H2,1-4H3
LIADENKDGVSTCO-UHFFFAOYSA-N
1#DIV/0!
16
OSM-E-11PT-1-11FC1=CC=C(N2C(C)=CC(S(N([H])CC(OC)=O)(=O)=O)=C2C)C=C1
InChI=1S/C15H17FN2O4S/c1-10-8-14(23(20,21)17-9-15(19)22-3)11(2)18(10)13-6-4-12(16)5-7-13/h4-8,17H,9H2,1-3H3
MAMSLIRHTVGOCI-UHFFFAOYSA-N
1#DIV/0!
17
OSM-E-12PT-1-4FC1=CC=C(N2C(C)=CC(S([O-])(=O)=O)=C2C)C=C1.[H][N+]3=CC=CC=C3
InChI=1S/C12H12FNO3S.C5H5N/c1-8-7-12(18(15,16)17)9(2)14(8)11-5-3-10(13)4-6-11;1-2-4-6-5-3-1/h3-7H,1-2H3,(H,15,16,17);1-5H
GVWFBFKDWILLTG-UHFFFAOYSA-N
1#DIV/0!
18
OSM-E-13PT-1-3
FC1=CC=C(N2C(C)=C(S(N(CC(OC)=O)C)(=O)=O)C(S(N(C)CC(OC)=O)(=O)=O)=C2C)C=C1
InChI=1S/C20H26FN3O8S2/c1-13-19(33(27,28)22(3)11-17(25)31-5)20(34(29,30)23(4)12-18(26)32-6)14(2)24(13)16-9-7-15(21)8-10-16/h7-10H,11-12H2,1-6H3
HLULFYCSKNZRBP-UHFFFAOYSA-N
1#DIV/0!
19
OSM-E-14PT-1-1310877131O=C(OC)COCC#C
InChI=1S/C6H8O3/c1-3-4-9-5-6(7)8-2/h1H,4-5H2,2H3
AIQJXQPQNMKDGJ-UHFFFAOYSA-N
1#DIV/0!
20
OSM-E-15JS 21-1FC(C(F)=C1)=CC=C1CCOC2=CC=CC3=NN=C(C4=CC=C(C#N)C=C4)N32
InChI=1S/C21H14F2N4O/c22-17-9-6-14(12-18(17)23)10-11-28-20-3-1-2-19-25-26-21(27(19)20)16-7-4-15(13-24)5-8-16/h1-9,12H,10-11H2
JCMCKOQZSFBPIN-UHFFFAOYSA-N
43.53.5
21
OSM-E-16JS 19-1ClC(C=CC=C1)=C1CCOC2=CC=CC3=NN=C(C4=CC=C(C#N)C=C4)N32
InChI=1S/C21H15ClN4O/c22-18-5-2-1-4-16(18)12-13-27-20-7-3-6-19-24-25-21(26(19)20)17-10-8-15(14-23)9-11-17/h1-11H,12-13H2
APTFJFHOJWNXBX-UHFFFAOYSA-N
45.25.2
22
OSM-E-17JS 20-1N#CC(C=C1)=CC=C1C2=NN=C3C=CC=C(OCCC4=CC=CC=C4)N32
InChI=1S/C21H16N4O/c22-15-17-9-11-18(12-10-17)21-24-23-19-7-4-8-20(25(19)21)26-14-13-16-5-2-1-3-6-16/h1-12H,13-14H2
PLXIJFIDAXQTSX-UHFFFAOYSA-N
46.86.8
23
OSM-E-18JS 10-1ClC1=CC=CC(N/N=C/C2=CC=C(C#N)C=C2)=N1
InChI=1S/C13H9ClN4/c14-12-2-1-3-13(17-12)18-16-9-11-6-4-10(8-15)5-7-11/h1-7,9H,(H,17,18)/b16-9+
WOEMAXIGZYIWII-CXUHLZMHSA-N
4>50>#DIV/0!
24
OSM-E-19JS 11-1ClC1=CC=CC2=NN=C(C3=CC=C(C#N)C=C3)N21
InChI=1S/C13H7ClN4/c14-11-2-1-3-12-16-17-13(18(11)12)10-6-4-9(8-15)5-7-10/h1-7H
ROKQDRVNUIOPKS-UHFFFAOYSA-N
4>50>#DIV/0!
25
OSM-E-2PT-1-12FC1=CC=C(N2C(C)=CC(S(NCC(N)=O)(=O)=O)=C2C)C=C1
InChI=1S/C14H16FN3O3S/c1-9-7-13(22(20,21)17-8-14(16)19)10(2)18(9)12-5-3-11(15)4-6-12/h3-7,17H,8H2,1-2H3,(H2,16,19)
RMHRPTFDPMUFGU-UHFFFAOYSA-N
1>50#DIV/0!
26
OSM-E-20JS 12-1ClC1=CC=CC(C(NC2=CC(C(F)(F)F)=NC=C2)=O)=N1
InChI=1S/C12H7ClF3N3O/c13-10-3-1-2-8(19-10)11(20)18-7-4-5-17-9(6-7)12(14,15)16/h1-6H,(H,17,18,20)
VNCOWSRRKZJWES-UHFFFAOYSA-N
4>50>#DIV/0!
27
OSM-E-21JS 15-1O=C(NC1=CC=NC(C(F)(F)F)=C1)C2=CC=CC(N/N=C/C3=CC=C(C#N)C=C3)=N2
InChI=1S/C20H13F3N6O/c21-20(22,23)17-10-15(8-9-25-17)27-19(30)16-2-1-3-18(28-16)29-26-12-14-6-4-13(11-24)5-7-14/h1-10,12H,(H,28,29)(H,25,27,30)/b26-12+
HITQOKWUFWDBPF-RPPGKUMJSA-N
4>50>#DIV/0!
28
OSM-E-22JS 16-1O=C(NC1=CC=NC(C(F)(F)F)=C1)C2=CC=CC3=NN=C(C4=CC=C(C#N)C=C4)N32
InChI=1S/C20H11F3N6O/c21-20(22,23)16-10-14(8-9-25-16)26-19(30)15-2-1-3-17-27-28-18(29(15)17)13-6-4-12(11-24)5-7-13/h1-10H,(H,25,26,30)
PGPJMFWOQCDCCV-UHFFFAOYSA-N
4>50>#DIV/0!
29
OSM-E-23TF 8-1OCCCNC1=C2C(C=C(C3CC=CC(S(=O)(N)=O)=C3)S2)=NC=N1
InChI=1S/C15H18N4O3S2/c16-24(21,22)11-4-1-3-10(7-11)13-8-12-14(23-13)15(19-9-18-12)17-5-2-6-20/h1,4,7-10,20H,2-3,5-6H2,(H2,16,21,22)(H,17,18,19)
JMGQLUQOLFPKPG-UHFFFAOYSA-N
318.518.5
30
OSM-E-24TF 16-1NC1=C2C(C=C(C3CC=CC(S(=O)(N4CCCC4)=O)=C3)S2)=NC=N1
InChI=1S/C16H18N4O2S2/c17-16-15-13(18-10-19-16)9-14(23-15)11-4-3-5-12(8-11)24(21,22)20-6-1-2-7-20/h3,5,8-11H,1-2,4,6-7H2,(H2,17,18,19)
WJXQKMZKHUBIMH-UHFFFAOYSA-N
3>50#DIV/0!
31
OSM-E-25TF 3-1NC1=C2C(C(C)=C(C3=CC=CC(S(=O)(N)=O)=C3)S2)=NC=N1
InChI=1S/C13H12N4O2S2/c1-7-10-12(13(14)17-6-16-10)20-11(7)8-3-2-4-9(5-8)21(15,18)19/h2-6H,1H3,(H2,14,16,17)(H2,15,18,19)
JIUOPNISLOOEPA-UHFFFAOYSA-N
3>50#DIV/0!
32
OSM-E-26TF 4-1NC1=C2C(C(C)=C(C3C(C)C=CC(S(=O)(N)=O)=C3)S2)=NC=N1
InChI=1S/C14H16N4O2S2/c1-7-3-4-9(22(16,19)20)5-10(7)12-8(2)11-13(21-12)14(15)18-6-17-11/h3-7,10H,1-2H3,(H2,15,17,18)(H2,16,19,20)
OTALAHLJTGALQU-UHFFFAOYSA-N
3>50#DIV/0!
33
OSM-E-27TF 7-1OCCNC1=C2C(C=C(C3=CC=CC(S(=O)(N)=O)=C3)S2)=NC=N1
InChI=1S/C14H14N4O3S2/c15-23(20,21)10-3-1-2-9(6-10)12-7-11-13(22-12)14(16-4-5-19)18-8-17-11/h1-3,6-8,19H,4-5H2,(H2,15,20,21)(H,16,17,18)
MMGBHQAWBVFGDD-UHFFFAOYSA-N
3>50#DIV/0!
34
OSM-E-28TF 1-1ClC1=C2C(C(C)=C(Br)S2)=NC=N1InChI=1S/C7H4BrClN2S/c1-3-4-5(12-6(3)8)7(9)11-2-10-4/h2H,1H3QIJOEBYAFJFJAF-UHFFFAOYSA-N3#DIV/0!
35
OSM-E-29TF 2-1NC1=C2C(C(C)=C(Br)S2)=NC=N1InChI=1S/C7H6BrN3S/c1-3-4-5(12-6(3)8)7(9)11-2-10-4/h2H,1H3,(H2,9,10,11)CDFUAWVGPVSAPG-UHFFFAOYSA-N3#DIV/0!
36
OSM-E-3PT-1-5
FC1=CC=C(N2C(C)=C(S(N(CC(N)=O)C)(=O)=O)C(S(N(C)CC(N)=O)(=O)=O)=C2C)C=C1
InChI=1S/C18H24FN5O6S2/c1-11-17(31(27,28)22(3)9-15(20)25)18(32(29,30)23(4)10-16(21)26)12(2)24(11)14-7-5-13(19)6-8-14/h5-8H,9-10H2,1-4H3,(H2,20,25)(H2,21,26)
TZMPVBDMPWKREJ-UHFFFAOYSA-N
1>50#DIV/0!
37
OSM-E-30TF 6-1OCCCNC1=C2C(C=CS2)=NC=N1InChI=1S/C9H11N3OS/c13-4-1-3-10-9-8-7(2-5-14-8)11-6-12-9/h2,5-6,13H,1,3-4H2,(H,10,11,12)SOCGDSNYDGBKME-UHFFFAOYSA-N3#DIV/0!
38
OSM-E-31PT 17O=S(N)(C1=CC=C(C)C(Br)=C1)=OInChI=1S/C7H8BrNO2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11)CFMBNGJNYNLPDL-UHFFFAOYSA-N3#DIV/0!
39
OSM-E-32PT 22NC1=C2C(C=C(C3=CC(S(=O)(N)=O)=CC=C3C)S2)=NC=N1InChI=1S/C13H12N4O2S2/c1-7-2-3-8(21(15,18)19)4-9(7)11-5-10-12(20-11)13(14)17-6-16-10/h2-6H,1H3,(H2,14,16,17)(H2,15,18,19)CEKVBYOWKFYMGL-UHFFFAOYSA-N3>50#DIV/0!
40
OSM-E-33PT-1-20O=S(N)(C1=CC=C(C)C(B2OC(C)(C)C(C)(C)O2)=C1)=OInChI=1S/C13H20BNO4S/c1-9-6-7-10(20(15,16)17)8-11(9)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3,(H2,15,16,17)RRDKUEMSNLMHIA-UHFFFAOYSA-N3#DIV/0!
41
OSM-E-4PT-1-14-C1FC1=CC=C(N2N=NC(COC(CBr)=O)=C2)C=C1
InChI=1S/C11H9BrFN3O2/c12-5-11(17)18-7-9-6-16(15-14-9)10-3-1-8(13)2-4-10/h1-4,6H,5,7H2
UNGOTBWYUGGCJU-UHFFFAOYSA-N
1>50#DIV/0!
42
OSM-E-5PT-1-14-C2FC1=CC=C(N2N=NC(COCC(OCC)=O)=C2)C=C1
InChI=1S/C13H14FN3O3/c1-2-20-13(18)9-19-8-11-7-17(16-15-11)12-5-3-10(14)4-6-12/h3-7H,2,8-9H2,1H3
OAQNGCWJHOFYIG-UHFFFAOYSA-N
1>50#DIV/0!
43
OSM-E-6PT-1-14-C3FC1=CC=C(N2N=NC(COCC(OC)=O)=C2)C=C1
InChI=1S/C12H12FN3O3/c1-18-12(17)8-19-7-10-6-16(15-14-10)11-4-2-9(13)3-5-11/h2-6H,7-8H2,1H3
MXCBYXCXBDMCMO-UHFFFAOYSA-N
1>50#DIV/0!
44
OSM-E-7PT-1-14-C4FC1=CC=C(N2N=NC(COCC(OCC3=CN(C4=CC=C(F)C=C4)N=N3)=O)=C2)C=C1
InChI=1S/C20H16F2N6O3/c21-14-1-5-18(6-2-14)27-9-16(23-25-27)11-30-13-20(29)31-12-17-10-28(26-24-17)19-7-3-15(22)4-8-19/h1-10H,11-13H2
CWJPLXSSRWVEAF-UHFFFAOYSA-N
1>50#DIV/0!
45
OSM-E-8PT-1-15FC1=CC=C(N2N=NC(COCC(N)=O)=C2)C=C1
InChI=1S/C11H11FN4O2/c12-8-1-3-10(4-2-8)16-5-9(14-15-16)6-18-7-11(13)17/h1-5H,6-7H2,(H2,13,17)
XMSVYANCVZPQJL-UHFFFAOYSA-N
1>50#DIV/0!
46
OSM-E-9PT-1-9; PMY54FC1=CC=C(N2C(C)=CC(S(Cl)(=O)=O)=C2C)C=C1
InChI=1S/C12H11ClFNO2S/c1-8-7-12(18(13,16)17)9(2)15(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3
MZWDVJVLEJEILM-UHFFFAOYSA-N
1#DIV/0!
47
OSM-L-1SBBH-1-9
CC(N1C2=CC(F)=CC=C2)=CC(/C=C(C(N/3C4=CC=CC=C4)=O)\SC3=N/C5=CC=CC=C5)=C1C
InChI=1S/C28H22FN3OS/c1-19-16-21(20(2)31(19)25-15-9-10-22(29)18-25)17-26-27(33)32(24-13-7-4-8-14-24)28(34-26)30-23-11-5-3-6-12-23/h3-18H,1-2H3/b26-17-,30-28-
URZLHIHAUACTCO-DUPRQXJUSA-N
13.2>53.292
48
OSM-L-2SBHK-516O=C(OCC#N)C1=C(C)N(N=C1)C2=CC=CC=C2
InChI=1S/C13H11N3O2/c1-10-12(13(17)18-8-7-14)9-15-16(10)11-5-3-2-4-6-11/h2-6,9H,8H2,1H3
LVOFSOINGBOZCK-UHFFFAOYSA-N
1#DIV/0!
49
OSM-LO-1EGT 411-1MMV1794644
FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4567[BH]89%10[BH]%11%124[BH]8%13%14[BH]%11%15%16[CH]%13%17%18[BH]%149%19[BH]%105%20[BH]%21%226[BH]%17%15([BH]%22%12%167)[BH]%18%19%20%21)N32
InChI=1S/C16H22B10F2N4O2/c27-14(28)34-10-3-1-9(2-4-10)13-31-30-11-7-29-8-12(32(11)13)33-6-5-16-22-17-15-18(17,22)20(15)21(15)19(15,17)23(16,17,22)25(16,19,21)26(16,20,21)24(16,18,20)22/h1-4,7-8,14-15,17-26H,5-6H2
CKBIQPOPXAGIEF-UHFFFAOYSA-N
42
50
OSM-LO-10EGT 424-1MMV1794639FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)C4=CC=C(OC)C=C4)N32
InChI=1S/C22H20F2N4O4/c1-30-17-6-2-14(3-7-17)16(12-29)13-31-20-11-25-10-19-26-27-21(28(19)20)15-4-8-18(9-5-15)32-22(23)24/h2-11,16,22,29H,12-13H2,1H3
WPBMLSOEVMUHGX-UHFFFAOYSA-N
40.722
51
OSM-LO-11EGT 422-1MMV1794640FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C(O)=O)C4=C(F)C=C(F)C=C4F)N32
InChI=1S/C21H13F5N4O4/c22-11-5-14(23)18(15(24)6-11)13(20(31)32)9-33-17-8-27-7-16-28-29-19(30(16)17)10-1-3-12(4-2-10)34-21(25)26/h1-8,13,21H,9H2,(H,31,32)
OTUKSSDCGFNGTE-UHFFFAOYSA-N
4>25
52
OSM-LO-12EGT 425-1MMV1794641FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C(O)=O)C4=CC=C(OC)C=C4)N32
InChI=1S/C22H18F2N4O5/c1-31-15-6-2-13(3-7-15)17(21(29)30)12-32-19-11-25-10-18-26-27-20(28(18)19)14-4-8-16(9-5-14)33-22(23)24/h2-11,17,22H,12H2,1H3,(H,29,30)
BGONQZJCXFSVTQ-UHFFFAOYSA-N
49.94
53
OSM-LO-13MV 4-1 PMMV693155FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)C4=CC=CC=C4)N32
InChI=1S/C21H18F2N4O3/c22-21(23)30-17-8-6-15(7-9-17)20-26-25-18-10-24-11-19(27(18)20)29-13-16(12-28)14-4-2-1-3-5-14/h1-11,16,21,28H,12-13H2
MGANJQKOPZQELF-UHFFFAOYSA-N
40.279
54
OSM-LO-14MV 4-1 IMMV1794643FC(F)OC(C=C1)=CC=C1C2=NN=C3C(OCC(CO)C4=CC=CC=C4)=NC=CN32
InChI=1S/C21H18F2N4O3/c22-21(23)30-17-8-6-15(7-9-17)18-25-26-19-20(24-10-11-27(18)19)29-13-16(12-28)14-4-2-1-3-5-14/h1-11,16,21,28H,12-13H2
HFXALRWXEQXCJL-UHFFFAOYSA-N
49.538
55
OSM-LO-2EGT 412-1MMV1794631FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)C4=C(F)C=CC=C4)N32
InChI=1S/C21H17F3N4O3/c22-17-4-2-1-3-16(17)14(11-29)12-30-19-10-25-9-18-26-27-20(28(18)19)13-5-7-15(8-6-13)31-21(23)24/h1-10,14,21,29H,11-12H2
ABSBXVNECYEKEY-UHFFFAOYSA-N
40.159
56
OSM-LO-3EGT 417-1 (prod2)MMV1794632FC(F)OC(C=C1)=CC=C1C2=NN=C3C(OCC(CO)C4=CC=CC(F)=C4)=NC=CN32
InChI=1S/C21H17F3N4O3/c22-16-3-1-2-14(10-16)15(11-29)12-30-20-19-27-26-18(28(19)9-8-25-20)13-4-6-17(7-5-13)31-21(23)24/h1-10,15,21,29H,11-12H2
PLYCVTLKERZMOF-UHFFFAOYSA-N
4
57
OSM-LO-4EGT 421-1MMV1794633FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)C4=C(OC)C=CC=C4)N32
InChI=1S/C22H20F2N4O4/c1-30-18-5-3-2-4-17(18)15(12-29)13-31-20-11-25-10-19-26-27-21(28(19)20)14-6-8-16(9-7-14)32-22(23)24/h2-11,15,22,29H,12-13H2,1H3
UTULOEBHNZHAOG-UHFFFAOYSA-N
40.304
58
OSM-LO-5EGT 420-1MMV1794634FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)C4=CC(OC)=CC=C4)N32
InChI=1S/C22H20F2N4O4/c1-30-18-4-2-3-15(9-18)16(12-29)13-31-20-11-25-10-19-26-27-21(28(19)20)14-5-7-17(8-6-14)32-22(23)24/h2-11,16,22,29H,12-13H2,1H3
JHTYHNMJMLESBY-UHFFFAOYSA-N
40.124
59
OSM-LO-6EGT 419-1MMV1794635FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)C4=CC(C(F)(F)F)=CC=C4)N32
InChI=1S/C22H17F5N4O3/c23-21(24)34-17-6-4-13(5-7-17)20-30-29-18-9-28-10-19(31(18)20)33-12-15(11-32)14-2-1-3-16(8-14)22(25,26)27/h1-10,15,21,32H,11-12H2
RSUSOBALBASKRU-UHFFFAOYSA-N
40.094
60
OSM-LO-7EGT 415-1MMV1794636FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)C4=C(F)C=C(F)C=C4F)N32
InChI=1S/C21H15F5N4O3/c22-13-5-15(23)19(16(24)6-13)12(9-31)10-32-18-8-27-7-17-28-29-20(30(17)18)11-1-3-14(4-2-11)33-21(25)26/h1-8,12,21,31H,9-10H2
UTKUNEDKHGJWFZ-UHFFFAOYSA-N
40.89
61
OSM-LO-8EGT 416-1 (prod1)MMV1794637FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)C4=C(F)C=C(F)C(F)=C4)N32
InChI=1S/C21H15F5N4O3/c22-15-6-17(24)16(23)5-14(15)12(9-31)10-32-19-8-27-7-18-28-29-20(30(18)19)11-1-3-13(4-2-11)33-21(25)26/h1-8,12,21,31H,9-10H2
VNWHTGHTARECMP-UHFFFAOYSA-N
40.19
62
OSM-LO-9EGT 416-1 (prod2)MMV1794638FC(F)OC(C=C1)=CC=C1C2=NN=C3C(OCC(CO)C4=CC(F)=C(F)C=C4F)=NC=CN32
InChI=1S/C21H15F5N4O3/c22-15-8-17(24)16(23)7-14(15)12(9-31)10-32-20-19-29-28-18(30(19)6-5-27-20)11-1-3-13(4-2-11)33-21(25)26/h1-8,12,21,31H,9-10H2
NEIRZOMSGQEPFH-UHFFFAOYSA-N
49.69
63
OSM-S-1PMY1; AEW1; PT1; MD223145454FC1=CC=C(N2C(C)=CC=C2C)C=C1
InChI=1S/C12H12FN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3
AIWFQKZWZOYVMK-UHFFFAOYSA-N
1#DIV/0!
64
OSM-S-10PMY14-3-A; AEW801228983MMV689017FC1=CC=C(N2C(C)=CC(/C=C3S/C(NC\3=O)=N\C4=CC=CC=C4)=C2C)C=C1
InChI=1S/C22H18FN3OS/c1-14-12-16(15(2)26(14)19-10-8-17(23)9-11-19)13-20-21(27)25-22(28-20)24-18-6-4-3-5-7-18/h3-13H,1-2H3,(H,24,25,27)/b20-13-
IMCPBTMVWRMBHR-MOSHPQCFSA-N
10.0320.1760.3610.2010.1925slow2510317<1.6<1.6
65
OSM-S-100AEW73; MD1871450943FC1=CC=C(N2C(C)=CC(C(OC(C)C(O)=O)=O)=C2C)C=C1
InChI=1S/C16H16FNO4/c1-9-8-14(16(21)22-11(3)15(19)20)10(2)18(9)13-6-4-12(17)5-7-13/h4-8,11H,1-3H3,(H,19,20)
CLQCMRDHQCCPEN-UHFFFAOYSA-N
100
66
OSM-S-101PMY5971459966FC1=CC=C(N2C(C)=CC(C3=NC(C(O)=O)=CO3)=C2C)C=C1
InChI=1S/C16H13FN2O3/c1-9-7-13(15-18-14(8-22-15)16(20)21)10(2)19(9)12-5-3-11(17)4-6-12/h3-8H,1-2H3,(H,20,21)
PZPDUGQJGPKVEM-UHFFFAOYSA-N
100
67
OSM-S-102MNR5371461679FC1=CC=C(N2C(C)=CC(C(CCC(NC)=O)=O)=C2C)C=C1
InChI=1S/C17H19FN2O2/c1-11-10-15(16(21)8-9-17(22)19-3)12(2)20(11)14-6-4-13(18)5-7-14/h4-7,10H,8-9H2,1-3H3,(H,19,22)
NTSUYUWERKMXIY-UHFFFAOYSA-N
100
68
OSM-S-103MNR5471452751CC(N1C2=CC=C(F)C=C2)=C(C(CCC(N)=O)=O)C=C1C
InChI=1S/C16H17FN2O2/c1-10-9-14(15(20)7-8-16(18)21)11(2)19(10)13-5-3-12(17)4-6-13/h3-6,9H,7-8H2,1-2H3,(H2,18,21)
IUFWRPRMBNNROV-UHFFFAOYSA-N
1
61% at 40 micromolar
#DIV/0!
69
OSM-S-104MNR5571450944FC1=CC=C(N2N=CC(C3=NC(C(O)=O)=CO3)=C2C)C=C1
InChI=1S/C14H10FN3O3/c1-8-11(13-17-12(7-21-13)14(19)20)6-16-18(8)10-4-2-9(15)3-5-10/h2-7H,1H3,(H,19,20)
WPAXFMQFJQZBFD-UHFFFAOYSA-N
100
70
OSM-S-105MNR5657519185FC1=CC=C(N2N=CC(C3=NC(C(N)=O)=CO3)=C2C)C=C1
InChI=1S/C14H11FN4O2/c1-8-11(14-18-12(7-21-14)13(16)20)6-17-19(8)10-4-2-9(15)3-5-10/h2-7H,1H3,(H2,16,20)
JODCOGVLCRBBMU-UHFFFAOYSA-N
100
71
OSM-S-106MNB6-744528665MMV025100NC1=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
30.0880.130.0360.08466666667102<5.00>25523>375<776<1<0.220.62<0.071.450-1006.3-12.5
72
OSM-S-107FC(C=C1)=CC=C1CN(CC2)CCN2C3=C4C(C=CS4)=NC=N3
InChI=1S/C17H17FN4S/c18-14-3-1-13(2-4-14)11-21-6-8-22(9-7-21)17-16-15(5-10-23-16)19-12-20-17/h1-5,10,12H,6-9,11H2
HYCIFMXWGMZZSB-UHFFFAOYSA-N
3
92% at 40 micromolar
#DIV/0!
73
OSM-S-108AEW34O=C(/C(S/1)=C/C2=C(C)NC(C)=C2)NC1=N\C3=CC=CC=C3
InChI=1S/C16H15N3OS/c1-10-8-12(11(2)17-10)9-14-15(20)19-16(21-14)18-13-6-4-3-5-7-13/h3-9,17H,1-2H3,(H,18,19,20)/b14-9-
RARJKBCELXYZBB-ZROIWOOFSA-N
11.21.244
74
OSM-S-109MNR82
O=C(/C(S/1)=C/C2=C(C)N(C3=CC=C([N+]([O-])=O)C=C3)C(C)=C2)NC1=N\C4=CC=CC=C4
InChI=1S/C22H18N4O3S/c1-14-12-16(15(2)25(14)18-8-10-19(11-9-18)26(28)29)13-20-21(27)24-22(30-20)23-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,24,27)/b20-13-
CHHZBZWZMLCOEW-MOSHPQCFSA-N
10.2620.2620
75
OSM-S-11PMY15; PMY18; AEW3; MNR97894104FC1=CC=C(N2C(C)=C(CO)C=C2C)C=C1
InChI=1S/C13H14FNO/c1-9-7-11(8-16)10(2)15(9)13-5-3-12(14)4-6-13/h3-7,16H,8H2,1-2H3
RXDPKDMALDFFCU-UHFFFAOYSA-N
1#DIV/0!
76
OSM-S-110MNR83
O=C(/C(S/1)=C/C2=C(C)N(C3=CC=C([N+]([O-])=O)C=C3)C(C)=C2)NC1=N\C4=CC(O)=CC=C4
InChI=1S/C22H18N4O4S/c1-13-10-15(14(2)25(13)17-6-8-18(9-7-17)26(29)30)11-20-21(28)24-22(31-20)23-16-4-3-5-19(27)12-16/h3-12,27H,1-2H3,(H,23,24,28)/b20-11-
NAHYEQMJTBIJRP-JAIQZWGSSA-N
12.32.326
77
OSM-S-111MNR84O=C(/C(S/1)=C/C2=C(C)N(C3=CC=C(OC)C=C3)C(C)=C2)NC1=N\C4=CC=CC=C4
InChI=1S/C23H21N3O2S/c1-15-13-17(16(2)26(15)19-9-11-20(28-3)12-10-19)14-21-22(27)25-23(29-21)24-18-7-5-4-6-8-18/h4-14H,1-3H3,(H,24,25,27)/b21-14-
KXIVXNPEYYNDHE-STZFKDTASA-N
10.1460.1470.2040.1656666667ANo0.6860.34544.3863220781.6-3.11.6-3.1
78
OSM-S-112MNR85O=C(/C(S/1)=C/C2=C(C)N(C3=CC=C(OC)C=C3)C(C)=C2)NC1=N\C4=CC(O)=CC=C4
InChI=1S/C23H21N3O3S/c1-14-11-16(15(2)26(14)18-7-9-20(29-3)10-8-18)12-21-22(28)25-23(30-21)24-17-5-4-6-19(27)13-17/h4-13,27H,1-3H3,(H,24,25,28)/b21-12-
RTYHWQWUZGEAOW-MTJSOVHGSA-N
11.61.638
79
OSM-S-113MNR92O=C(/C(S/1)=C/C2=C(C)N(C3=CC=CC=N3)C(C)=C2)NC1=N\C4=CC=C(O)C=C4
InChI=1S/C21H18N4O2S/c1-13-11-15(14(2)25(13)19-5-3-4-10-22-19)12-18-20(27)24-21(28-18)23-16-6-8-17(26)9-7-16/h3-12,26H,1-2H3,(H,23,24,27)/b18-12-
QZBWTSAVUQHJPY-PDGQHHTCSA-N
100
80
OSM-S-114MNR94O=C(/C(S/1)=C/C2=C(C)N(C3=CC=CC=C3)C(C)=C2)NC1=N\C4=CC(O)=CC=C4
InChI=1S/C22H19N3O2S/c1-14-11-16(15(2)25(14)18-8-4-3-5-9-18)12-20-21(27)24-22(28-20)23-17-7-6-10-19(26)13-17/h3-13,26H,1-2H3,(H,23,24,27)/b20-12-
ASANPQFHMMSZFH-NDENLUEZSA-N
11.21.242
81
OSM-S-115MNR95O=C(/C(S/1)=C/C2=C(C)N(C3=CC=CC=C3)C(C)=C2)NC1=N\C4=CC=C(O)C=C4
InChI=1S/C22H19N3O2S/c1-14-12-16(15(2)25(14)18-6-4-3-5-7-18)13-20-21(27)24-22(28-20)23-17-8-10-19(26)11-9-17/h3-13,26H,1-2H3,(H,23,24,27)/b20-13-
OIEJMTDGFAFKDZ-MOSHPQCFSA-N
11.81.835
82
OSM-S-116AEW776915212CC(N1C2=CC=C(F)C=C2)=C(C(OC(C)C(N)=O)=O)C=C1C
InChI=1S/C16H17FN2O3/c1-9-8-14(16(21)22-11(3)15(18)20)10(2)19(9)13-6-4-12(17)5-7-13/h4-8,11H,1-3H3,(H2,18,20)
JKLVGXNSTVWIID-UHFFFAOYSA-N
11111
83
OSM-S-117 (DUPLICATE OF OSM-S-64)
>40#DIV/0!
84
OSM-S-118C12=NC=NC(C3=CC=CC=C3)=C1SC=C2
InChI=1S/C12H8N2S/c1-2-4-9(5-3-1)11-12-10(6-7-15-12)13-8-14-11/h1-8H
ROUKINVYJAEUCD-UHFFFAOYSA-N
3>40#DIV/0!
85
OSM-S-119BrC1=C(Br)C2=NC=NC(C3=CC=CC=C3)=C2S1
InChI=1S/C12H6Br2N2S/c13-8-10-11(17-12(8)14)9(15-6-16-10)7-4-2-1-3-5-7/h1-6H
MHSGERTZTNZZKP-UHFFFAOYSA-N
3>40#DIV/0!
86
OSM-S-12PMY20292955CC(N1C2=CC=CC=C2)=CC(C(O)=O)=C1C
InChI=1S/C13H13NO2/c1-9-8-12(13(15)16)10(2)14(9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16)
CIRVCSCFJALBOH-UHFFFAOYSA-N
1
70% at 120 micromolar
50% at 120 micromolar
000
87
OSM-S-120BrC1=CC2=NC=NC(C3=CC=CC=C3)=C2S1
InChI=1S/C12H7BrN2S/c13-10-6-9-12(16-10)11(15-7-14-9)8-4-2-1-3-5-8/h1-7H
TUFQXFIDQNLCGQ-UHFFFAOYSA-N
3>40#DIV/0!
88
OSM-S-121ClC1=C2C(C=C(Br)S2)=NC=N1
InChI=1S/C6H2BrClN2S/c7-4-1-3-5(11-4)6(8)10-2-9-3/h1-2H
RJKAKJGOZXERRE-UHFFFAOYSA-N
3
95% at 40 micromolar
#DIV/0!
89
OSM-S-122C12=NC=NC(C3=CC=CC=C3)=C1SC(C4=CC=CC=C4)=C2
InChI=1S/C18H12N2S/c1-3-7-13(8-4-1)16-11-15-18(21-16)17(20-12-19-15)14-9-5-2-6-10-14/h1-12H
QDXZKUSOZDDGPU-UHFFFAOYSA-N
3>40#DIV/0!
90
OSM-S-123MMV1794864NC1=C2C(C=C(C3=CC=CC=C3)S2)=NC=N1
InChI=1S/C12H9N3S/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15)
WQVHTLKGGYMXIO-UHFFFAOYSA-N
3>40#DIV/0!
91
OSM-S-124COC(C=C1)=CC=C1C2=CC3=NC=NC(N4CCOCC4)=C3S2
InChI=1S/C17H17N3O2S/c1-21-13-4-2-12(3-5-13)15-10-14-16(23-15)17(19-11-18-14)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3
LPCKDTSEWUTBJN-UHFFFAOYSA-N
3
62% at 40 micromolar
#DIV/0!
92
OSM-S-125BrC1=CC2=NC=NC(N3CCOCC3)=C2S1
InChI=1S/C10H10BrN3OS/c11-8-5-7-9(16-8)10(13-6-12-7)14-1-3-15-4-2-14/h5-6H,1-4H2
WUXPEHRGQLOSNM-UHFFFAOYSA-N
3>40#DIV/0!
93
OSM-S-126C12=NC=NC(N3CCOCC3)=C1SC(C4=CC=CC=C4)=C2
InChI=1S/C16H15N3OS/c1-2-4-12(5-3-1)14-10-13-15(21-14)16(18-11-17-13)19-6-8-20-9-7-19/h1-5,10-11H,6-9H2
LBOQIBFHJGJRTG-UHFFFAOYSA-N
3
39% at 40 micromolar
#DIV/0!
94
OSM-S-127NS(C1=CC(C2=CC3=NC=NC(N4CCOCC4)=C3S2)=CC=C1)(=O)=O
InChI=1S/C16H16N4O3S2/c17-25(21,22)12-3-1-2-11(8-12)14-9-13-15(24-14)16(19-10-18-13)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2,(H2,17,21,22)
MDGVTZLJAVLGJP-UHFFFAOYSA-N
3
42% at 40 micromolar
#DIV/0!
95
OSM-S-128NC1=C2C(C=C(C3=CC=C(C(C)(C)C)C=C3)S2)=NC=N1
InChI=1S/C16H17N3S/c1-16(2,3)11-6-4-10(5-7-11)13-8-12-14(20-13)15(17)19-9-18-12/h4-9H,1-3H3,(H2,17,18,19)
KLCMSKCOVXKOMY-UHFFFAOYSA-N
3
54% at 40 micromolar
#DIV/0!
96
OSM-S-129NC1=C2C(C=C(C3=CC=C(S(N)(=O)=O)C=C3)S2)=NC=N1
InChI=1S/C12H10N4O2S2/c13-12-11-9(15-6-16-12)5-10(19-11)7-1-3-8(4-2-7)20(14,17)18/h1-6H,(H2,13,15,16)(H2,14,17,18)
NPCFGALHIPAZAV-UHFFFAOYSA-N
3>40#DIV/0!
97
OSM-S-13PMY21757547CC1=CC=C(N2C(C)=C(C(O)=O)C=C2C)C=C1
InChI=1S/C14H15NO2/c1-9-4-6-12(7-5-9)15-10(2)8-13(11(15)3)14(16)17/h4-8H,1-3H3,(H,16,17)
YNFCEUIZSXIFCE-UHFFFAOYSA-N
1
70% at 120 micromolar
0000
98
OSM-S-130NC1=C2C(C=C(C3=CC=C(C(N(C)C)=O)C=C3)S2)=NC=N1
InChI=1S/C15H14N4OS/c1-19(2)15(20)10-5-3-9(4-6-10)12-7-11-13(21-12)14(16)18-8-17-11/h3-8H,1-2H3,(H2,16,17,18)
XJSSUNQWKKUSSC-UHFFFAOYSA-N
3>40#DIV/0!
99
OSM-S-131NC1=C2C(C=C(C3=CC=C(OC)C=C3)S2)=NC=N1
InChI=1S/C13H11N3OS/c1-17-9-4-2-8(3-5-9)11-6-10-12(18-11)13(14)16-7-15-10/h2-7H,1H3,(H2,14,15,16)
DRUQZXVTFOTIEO-UHFFFAOYSA-N
3>40#DIV/0!
100
OSM-S-132NC1=C2C(C=C(C3=CC=C(C(N4CCOCC4)=O)C=C3)S2)=NC=N1
InChI=1S/C17H16N4O2S/c18-16-15-13(19-10-20-16)9-14(24-15)11-1-3-12(4-2-11)17(22)21-5-7-23-8-6-21/h1-4,9-10H,5-8H2,(H2,18,19,20)
KOSDTDDFEYEHDU-UHFFFAOYSA-N
3>40#DIV/0!
Loading...