Compound ID paper,IUPAC Name,SMILES,PIKfyve PoC,PIKfyve enzymatic IC50Ê(nM),PIKfyve NB IC50Ê(nM),S10(1 µM),# kinases with PoC <10 in DiscoverX scanMAX,MHV replication IC50Ê(nM)Ê,SARS-CoV-2 replication IC50Ê(nM)Ê
1,"4-(2-amino-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-10-yl)-2-methylbut-3-yn-2-olÊ",CC(O)(C)C#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CC3)C=C1,0,NT,220,0.05,20,NT,NT
AMG28,"4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-olÊ",CC(O)(C)C#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CCC3)C=C1,0.4,2.2,14.1,0.052,21,NT,NT
2,"4-(2-amino-6,7,8,9-tetrahydro-5H-pyrimido[4',5':3,4]cycloocta[1,2-b]indol-12-yl)-2-methylbut-3-yn-2-olÊ",CC(O)(C)C#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CCCC3)C=C1,3.4,61,2450,0.007,3,8470,NT
3,4-(3-(2-aminopyrimidin-4-yl)-1H-indol-5-yl)-2-methylbut-3-yn-2-olÊ,CC(O)(C)C#CC1=CC2=C(NC=C2C3=NC(N)=NC=C3)C=C1,0,6.1,21.1,0.084,34,NT,NT
4,"10-(pyridin-4-ylethynyl)-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amineÊ",NC1=NC=C2CCC(NC3=C4C=C(C#CC5=CC=NC=C5)C=C3)=C4C2=N1,69,NT,2980,0.002,1,NT,NT
5,"11-(pyridin-4-ylethynyl)-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amineÊ",NC1=NC=C(CCC2)C(C3=C2NC4=C3C=C(C#CC5=CC=NC=C5)C=C4)=N1,12,22,885,0.012,5,485,NT
6,"12-(pyridin-4-ylethynyl)-6,7,8,9-tetrahydro-5H-pyrimido[4',5':3,4]cycloocta[1,2-b]indol-2-amineÊ",NC1=NC=C(CCCC2)C(C3=C2NC4=C3C=C(C#CC5=CC=NC=C5)C=C4)=N1,100,580,5290,0,0,NT,NT
7,"10-(4-fluorophenyl)-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amineÊ",NC1=NC=C2CCC(NC3=C4C=C(C5=CC=C(F)C=C5)C=C3)=C4C2=N1,0.3,8.2,380,0.007,3,713,NT
8,"11-(4-fluorophenyl)-5,6,7,8-tetrahydropyrimido[4Õ,5Õ:3,4]cyclohepta[1,2-b]indol-2-amineÊ",NC1=NC=C2CCCC(NC3=C4C=C(C5=CC=C(F)C=C5)C=C3)=C4C2=N1,0,9.3,11.4,0.005,2,71,73.3
9,"12-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4',5':3,4]cycloocta[1,2-b]indol-2-amineÊ",NC1=NC=C(CCCC2)C(C3=C2NC4=C3C=C(C5=CC=C(F)C=C5)C=C4)=N1,37,NT,2560,0.005,2,NT,NT
10,"1-(2-amino-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-10-yl)-4-methylpent-1-yn-3-olÊ",CC(C)C(O)C#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CC3)C=C1,0.9,NT,1170,0.027,11,1920,NT
11,"1-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-4-methylpent-1-yn-3-olÊ",CC(C)C(O)C#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CCC3)C=C1,0,NT,45.7,0.016,7,NT,NT
12,"10-(1-methyl-1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amineÊ",NC1=NC=C2CCC(NC3=C4C=C(C5=CN(C)N=C5)C=C3)=C4C2=N1,2.3,34,4970,0.017,7,5350,NT
13,"11-(1-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amineÊ",NC1=NC=C(CCC2)C(C3=C2NC4=C3C=C(C5=CN(C)N=C5)C=C4)=N1,2.2,26,1560,0.02,8,666,NT
14,"10-((1-methyl-1H-imidazol-5-yl)ethynyl)-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amineÊ",NC1=NC=C2CCC(NC3=C4C=C(C#CC5=CN=CN5C)C=C3)=C4C2=N1,28,77,>10000,0.015,6,8050,NT
15,"10-(cyclopropylethynyl)-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amineÊ",NC1=NC=C2CCC(NC3=C4C=C(C#CC5CC5)C=C3)=C4C2=N1,0.3,NT,300,0.015,6,NT,NT
16,"10-(3-(dimethylamino)prop-1-yn-1-yl)-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amineÊ",NC1=NC=C2CCC(NC3=C4C=C(C#CCN(C)C)C=C3)=C4C2=N1,0,NT,123,0.015,6,NT,NT
17,"11-(3-(dimethylamino)prop-1-yn-1-yl)-5,6,7,8-tetrahydropyrimido[4Õ,5Õ:3,4]cyclohepta[1,2-b]indol-2-amineÊ",NC1=NC=C(CCC2)C(C3=C2NC4=C3C=C(C#CCN(C)C)C=C4)=N1,0.1,6.9,4.01,0.02,8,23.5,19.5
18,"N-(4-2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-yl)acetamideÊ",CC(NC(C)=O)(C)C#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CCC3)C=C1,91,NT,>10000,0.017,7,NT,NT
19,"N-(4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-yl)methanesulfonamideÊ",CS(=O)(NC(C#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CCC3)C=C1)(C)C)=O,99,140,1600,0,0,NT,NT
20,"11-(3-methoxy-3-methylbut-1-yn-1-yl)-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amineÊ",NC1=NC=C(CCC2)C(C3=C2NC4=C3C=C(C#CC(C)(OC)C)C=C4)=N1,0.5,6.2,314,0.027,11,NT,NT
21,"4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)but-3-yn-2-olÊ",CC(O)C#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CCC3)C=C1,0,NT,4.05,0.122,49,NT,NT
22,"4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)but-3-yn-1-olÊ",OCCC#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CCC3)C=C1,1,NT,40,0.084,34,NT,NT
23,"4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2,2-dimethylbut-3-yn-1-olÊ",OCC(C)(C)C#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CCC3)C=C1,8.7,NT,2160,0.027,11,NT,NT
24,"5-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylpent-4-yn-2-olÊ",CC(O)(C)CC#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CCC3)C=C1,1.1,NT,290,0.035,14,NT,NT
25,"1-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-3-methylpent-1-yn-3-olÊ",CCC(O)(C)C#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CCC3)C=C1,0,1.9,9.65,0.055,22,NT,NT
26,"1-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-3-ethylpent-1-yn-3-olÊ",CCC(O)(CC)C#CC1=CC2=C(NC3=C2C4=NC(N)=NC=C4CCC3)C=C1,0,1.8,12.7,0.017,7,74,23.9
27,"12-((1-methyl-1H-imidazol-5-yl)ethynyl)-6,7,8,9-tetrahydro-5H-pyrimido[4',5':3,4]cycloocta[1,2-b]indol-2-amineÊ",NC1=NC=C(CCCC2)C(C3=C2NC4=C3C=C(C#CC5=CN=CN5C)C=C4)=N1,97,290,>10000,0,0,NT,NT
28,"12-(cyclopropylethynyl)-6,7,8,9-tetrahydro-5H-pyrimido[4',5':3,4]cycloocta[1,2-b]indol-2-amineÊ",NC1=NC=C(CCCC2)C(C3=C2NC4=C3C=C(C#CC5CC5)C=C4)=N1,9.8,75,700,0.002,1,1800,NT
29,"12-(3-(dimethylamino)prop-1-yn-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4',5':3,4] cycloocta[1,2-b]indol-2-amineÊ",NC1=NC=C(CCCC2)C(C3=C2NC4=C3C=C(C#CCN(C)C)C=C4)=N1,21,430,683,0,0,NT,NT
30,"12-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrimido[4Õ,5Õ:3,4]cycloocta[1,2-b]indol-2-amineÊ",NC1=NC=C(CCCC2)C(C3=C2NC4=C3C=C(C5CC5)C=C4)=N1,88,720,>10000,0.002,1,>10000,>10000
Apilimod,4-(6-(2-(3-Methylbenzylidene)hydrazinyl)-2-(2-(pyridin-2-yl)ethoxy)pyrimidin-4-yl)morpholine,CC1=CC(C=NNC2=CC(N3CCOCC3)=NC(OCCC4=NC=CC=C4)=N2)=CC=C1,NT,3.4,0.312,0.002,1,15.7,NT
YM201636,"6-amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide",O=C(C1=CC=C(N)N=C1)NC2=CC=CC(C3=NC(N4CCOCC4)=C(OC5=NC=CC=C56)C6=N3)=C2,0,0.82,73.5,0.005,2,250,NT
APY0201,"2-[7-(4-morpholinyl)-2-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazone, 3-methyl-benzaldehyde",CC1=CC(C=NNC2=NC3=CC(C4=CC=NC=C4)=NN3C(N5CCOCC5)=C2)=CC=C1,NT,3.7,1.19,NT,NT,40.4,NT
Remdesivir,"Ê2-Ethylbutyl (2S)-2-[[(S)-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy]phenoxyphosphoryl]amino]propanoate",C[C@H](N[P@@](OC1=CC=CC=C1)(OC[C@H]2O[C@@](C#N)(C3=CC=C4C(N)=NC=NN43)[C@H](O)[C@@H]2O)=O)C(OCC(CC)CC)=O,NT,NT,NT,NT,NT,NT,86.4