Detailed information for compound 1024244

Basic information

Technical information
  • TDR Targets ID: 1024244
  • Name: (E)-4-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tet ramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen -1-yl]but-3-en-2-one
  • MW: 278.43 | Formula: C18H30O2
  • H donors: 1 H acceptors: 2 LogP: 4.01 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)/C=C/[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(C)C
  • InChi: 1S/C18H30O2/c1-13(19)7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)20/h7-8,14-15,20H,6,9-12H2,1-5H3/b8-7+/t14-,15+,17-,18+/m0/s1
  • InChiKey: SNUHZNCSBAQVJV-JIDYTCFASA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-4-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]but-3-en-2-one
  • (E)-4-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-1-decalinyl]but-3-en-2-one
  • ZINC04478060

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.002 0.004 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0031 0.0106
Trichomonas vaginalis set domain proteins, putative 0.0235 0.0935 1
Onchocerca volvulus Protein UBASH3A homolog 0.0015 0.0021 0.0039
Schistosoma mansoni hypothetical protein 0.008 0.0292 0.0735
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0119 0.0454
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0385 0.1559 0.4169
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.011 0.0415
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0532 0.2173 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0056 0.0093
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0056 0.016
Loa Loa (eye worm) hypothetical protein 0.0018 0.0031 0.0065
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0039
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0055 0.013
Loa Loa (eye worm) hypothetical protein 0.0083 0.0305 0.0804
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Loa Loa (eye worm) hypothetical protein 0.0023 0.0056 0.0132
Toxoplasma gondii phosphoglycerate mutase family protein 0.0015 0.0021 0.1131
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.011 0.0979
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.011 0.0089
Echinococcus granulosus nibrin 0.002 0.004 0.005
Echinococcus multilocularis pyruvate kinase 0.0017 0.0029 0.0008
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0532 0.2173 1
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Onchocerca volvulus Protein UBASH3A homolog 0.0015 0.0021 0.0039
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0134 0.1231
Echinococcus multilocularis pyruvate kinase 0.0017 0.0029 0.0008
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0097 0.7117
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0035 0.0038
Loa Loa (eye worm) hypothetical protein 0.0023 0.0056 0.0132
Mycobacterium ulcerans hypothetical protein 0.0037 0.011 0.0415
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0056 0.3855
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0035 0.0155
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.011 0.0242
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.011 0.0979
Plasmodium vivax hypothetical protein, conserved 0.0037 0.011 0.8173
Trichomonas vaginalis esterase, putative 0.0037 0.011 0.0977
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0134 0.1231
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0886 0.3648 0.9828
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Mycobacterium ulcerans hypothetical protein 0.0023 0.0056 0.016
Loa Loa (eye worm) hypothetical protein 0.0023 0.0056 0.0132
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0097 0.0244
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Onchocerca volvulus 0.003 0.0081 0.02
Mycobacterium leprae conserved hypothetical protein 0.0037 0.011 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0035 0.0014
Loa Loa (eye worm) hypothetical protein 0.0049 0.0162 0.0418
Loa Loa (eye worm) hypothetical protein 0.0064 0.0223 0.0583
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0886 0.3648 0.9828
Trypanosoma cruzi FHA domain containing protein, putative 0.002 0.004 0.005
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0035 0.0038
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0901 0.3711 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0056 0.016
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.0464 0.1234
Giardia lamblia Hypothetical protein 0.0532 0.2173 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.011 0.0977
Brugia malayi beta-lactamase 0.0037 0.011 0.1354
Brugia malayi UBASH3A protein homolog 0.0015 0.0021 0.026
Treponema pallidum DNA ligase (lig) 0.002 0.004 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0385 0.1559 0.4169
Plasmodium falciparum pyruvate kinase 0.0033 0.0097 0.8047
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Echinococcus multilocularis Niemann Pick C1 protein 0.0194 0.0766 0.0747
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0083 0.0305 0.0804
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0055 0.0157
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0035 0.0028
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0223 0.0546
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0385 0.1559 0.4169
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0056 0.0682
Brugia malayi hypothetical protein 0.0012 0.0007 0.0085
Brugia malayi topoisomerase 0.002 0.004 0.0485
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0029 0.2001
Echinococcus multilocularis pyruvate kinase 0.0033 0.0097 0.0076
Brugia malayi CHE-14 protein 0.0083 0.0305 0.3735
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0081 0.0162
Echinococcus granulosus pyruvate kinase 0.0033 0.0097 0.0206
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Onchocerca volvulus Protein UBASH3A homolog 0.0015 0.0021 0.0039
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0201 0.0795 0.9739
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Schistosoma mansoni pyruvate kinase 0.0033 0.0097 0.0206
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0056 0.016
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0063
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0305 0.3105
Brugia malayi Patched related family protein 4 0.0012 0.0007 0.0085
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0097 0.119
Echinococcus multilocularis Niemann Pick C1 protein 0.0277 0.1113 0.1094
Schistosoma mansoni topbp1 0.002 0.004 0.005
Chlamydia trachomatis DNA ligase 0.002 0.004 0.2415
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0039
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.011 0.0977
Brugia malayi phosphoglycerate mutase family protein 0.0015 0.0021 0.026
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0035 0.2545
Plasmodium vivax SET domain protein, putative 0.003 0.0081 0.5845
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.0556 0.6807
Onchocerca volvulus 0.0235 0.0935 0.2505
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.002 0.004 0.0485
Onchocerca volvulus 0.0049 0.0162 0.0418
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0901 0.3711 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0081 0.0162
Onchocerca volvulus 0.0037 0.011 0.028
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0056 0.0377
Trichomonas vaginalis conserved hypothetical protein 0.002 0.004 0.0201
Brugia malayi DKFZp564C0469 protein 0.002 0.004 0.0485
Brugia malayi hypothetical protein 0.0012 0.0007 0.0085
Schistosoma mansoni hypothetical protein 0.0064 0.0223 0.0546
Brugia malayi Pre-SET motif family protein 0.003 0.0081 0.0992
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.053 0.6495
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.011 0.0977
Giardia lamblia Pyruvate kinase 0.0033 0.0097 0.0316
Onchocerca volvulus 0.0023 0.0056 0.0132
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.0556 0.1448
Toxoplasma gondii phosphoglycerate mutase 0.0015 0.0021 0.1131
Echinococcus multilocularis protein patched 0.0083 0.0305 0.0284
Loa Loa (eye worm) hypothetical protein 0.0517 0.211 0.5676
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0097 0.0206
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.011 0.028
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0056 0.016
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0901 0.3711 1
Echinococcus granulosus Niemann Pick C1 protein 0.0277 0.1113 0.2959
Schistosoma mansoni DNA ligase IV 0.002 0.004 0.005
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0063
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0035 0.0156
Schistosoma mansoni hypothetical protein 0.0064 0.0223 0.0546
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0056 0.0682
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0097 0.0244
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0097 0.119
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.004 0.0201
Echinococcus multilocularis tumor protein p63 0.0335 0.1351 0.1333
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0119 1
Schistosoma mansoni hypothetical protein 0.0137 0.053 0.1379
Brugia malayi phosphoglycerate mutase family protein 0.0015 0.0021 0.026
Echinococcus granulosus sterol regulatory element binding protein 0.0083 0.0305 0.0769
Brugia malayi Patched related family protein 12 0.0012 0.0007 0.0085
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0039
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0223 0.0583
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0097 0.0206
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0385 0.1559 0.4169
Schistosoma mansoni chromosome transmission fidelity factor 0.002 0.004 0.005
Schistosoma mansoni hypothetical protein 0.0064 0.0223 0.0546
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.0933 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0886 0.3648 0.9828
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.0464 0.1234
Echinococcus granulosus pyruvate kinase 0.0017 0.0029 0.0022
Brugia malayi Patched protein homolog 1 0.0012 0.0007 0.0085
Plasmodium vivax replication factor C subunit 1, putative 0.002 0.004 0.2577
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0056 0.016
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0035 0.0077
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0105 0.0084
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0056 0.016
Loa Loa (eye worm) phosphoglycerate mutase 0.0015 0.0021 0.0039
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.0816 0.2185
Echinococcus granulosus 6 phosphofructo 2 kinase:fructose 2 0.0901 0.3711 1
Onchocerca volvulus 0.0015 0.0021 0.0039
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0035 0.0038
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0039
Loa Loa (eye worm) hypothetical protein 0.0194 0.0766 0.205
Loa Loa (eye worm) hypothetical protein 0.0018 0.0031 0.0065
Onchocerca volvulus 0.0015 0.0021 0.0039
Schistosoma mansoni topbp1 0.002 0.004 0.005
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Echinococcus multilocularis sterol regulatory element binding protein 0.0083 0.0305 0.0284
Echinococcus multilocularis replication factor c subunit 1 0.002 0.004 0.0018
Schistosoma mansoni 6-phosphofructokinase 0.0901 0.3711 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0063
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.011 0.0979
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Brugia malayi beta-lactamase family protein 0.0037 0.011 0.1354
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0081 0.0162
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.0886 0.3648 0.9828
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0063
Mycobacterium tuberculosis Conserved protein 0.0037 0.011 0.0979
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0134 0.0305
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.002 0.004 0.2577
Schistosoma mansoni pyruvate kinase 0.0033 0.0097 0.0206
Mycobacterium ulcerans lipase LipD 0.0037 0.011 0.0415
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.002 0.004 0.0085
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0029 0.177
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0097 0.0244
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0105 0.0227
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0035 0.0434
Mycobacterium ulcerans beta-lactamase 0.0037 0.011 0.0415
Plasmodium vivax phosphoglycerate mutase, putative 0.0015 0.0021 0.1131
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0134 1
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0162 0.0381
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Onchocerca volvulus 0.0901 0.3711 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0223 0.0202
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0223 0.2729
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.011 0.0242
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0134 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.011 0.0977
Onchocerca volvulus 0.0037 0.011 0.028
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0134 1
Plasmodium falciparum phosphoglycerate mutase, putative 0.0015 0.0021 0.1279
Echinococcus granulosus GPCR family 2 0.0064 0.0223 0.0546
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0031 0.2143
Echinococcus multilocularis pyruvate kinase 0.0026 0.0068 0.0047
Loa Loa (eye worm) hypothetical protein 0.0033 0.0097 0.0244
Brugia malayi Niemann-Pick C1 protein precursor 0.0194 0.0766 0.939
Echinococcus multilocularis GPCR, family 2 0.0064 0.0223 0.0202
Echinococcus granulosus replication factor c subunit 1 0.002 0.004 0.005
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0056 0.016
Onchocerca volvulus 0.0015 0.0021 0.0039
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0201 0.0795 0.2127
Plasmodium falciparum replication factor C subunit 1, putative 0.002 0.004 0.2913
Giardia lamblia Replication factor C, subunit 1 0.002 0.004 0.0048
Giardia lamblia Hypothetical protein 0.0532 0.2173 1
Echinococcus multilocularis pyruvate kinase 0.0017 0.0029 0.0008
Entamoeba histolytica hypothetical protein 0.002 0.004 0.0085
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.011 0.0979
Schistosoma mansoni ap endonuclease 0.0019 0.0035 0.0038
Loa Loa (eye worm) acetyltransferase 0.0144 0.0556 0.1481
Brugia malayi MH2 domain containing protein 0.0122 0.0464 0.5684
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0031 0.0045
Plasmodium falciparum phosphoglucomutase-2 0.0015 0.0021 0.1279
Brugia malayi hypothetical protein 0.0012 0.0007 0.0085
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0223 0.2729
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0097 0.0831
Onchocerca volvulus Protein UBASH3A homolog 0.0015 0.0021 0.0039
Brugia malayi Pre-SET motif family protein 0.0206 0.0816 1
Schistosoma mansoni ap endonuclease 0.0019 0.0035 0.0038
Echinococcus multilocularis protein dispatched 1 0.0095 0.0354 0.0333
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.004 0.005
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.0539 0.1403
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.011 0.0415
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0081 0.0162
Mycobacterium tuberculosis Conserved protein 0.0037 0.011 0.0979
Loa Loa (eye worm) hypothetical protein 0.003 0.0081 0.02
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0035 0.0066
Brugia malayi hypothetical protein 0.002 0.004 0.0485
Brugia malayi Pax transcription activation domain interacting protein 0.002 0.004 0.0485
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0119 0.0418
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.002 0.004 0.0085
Loa Loa (eye worm) hypothetical protein 0.0018 0.0031 0.0065
Brugia malayi hypothetical protein 0.002 0.004 0.0485
Toxoplasma gondii ABC1 family protein 0.0037 0.011 0.8173
Brugia malayi beta-lactamase family protein 0.0037 0.011 0.1354
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0056 0.0377
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0097 0.85
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0097 0.0206
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.011 0.0242
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.011 0.0979
Schistosoma mansoni pyruvate kinase 0.0017 0.0029 0.0022
Echinococcus multilocularis nibrin 0.002 0.004 0.0018
Trichomonas vaginalis replication factor C large subunit, putative 0.002 0.004 0.0201
Schistosoma mansoni hypothetical protein 0.0035 0.0105 0.0227
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0097 0.0832
Entamoeba histolytica hypothetical protein 0.0035 0.0105 0.0389
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.004 0.0201
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0081 0.006
Trichomonas vaginalis conserved hypothetical protein 0.002 0.004 0.0201
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.004 0.0201
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0194 0.0766 0.3463
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0223 0.0202
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0056 0.0093
Brugia malayi protein C24B5.3 0.0012 0.0007 0.0085
Brugia malayi Patched related family protein 10 0.0012 0.0007 0.0085
Leishmania major pyruvate kinase 0.0033 0.0097 0.0206
Echinococcus multilocularis expressed conserved protein 0.0182 0.0717 0.0698
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0097 0.0244
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.011 0.0242
Echinococcus granulosus pyruvate kinase 0.0017 0.0029 0.0022
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.011 0.0979
Plasmodium vivax phosphoglucomutase-2, putative 0.0015 0.0021 0.1131
Toxoplasma gondii exonuclease III APE 0.0019 0.0035 0.2251
Echinococcus granulosus tumor protein p63 0.0335 0.1351 0.3604
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0035 0.7747
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Loa Loa (eye worm) beta-lactamase 0.0037 0.011 0.028
Echinococcus granulosus Protein patched homolog 1 0.0083 0.0305 0.0769
Mycobacterium ulcerans hypothetical protein 0.0532 0.2173 1
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Brugia malayi hypothetical protein 0.0012 0.0007 0.0085
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0081 0.5845
Loa Loa (eye worm) hypothetical protein 0.0102 0.0383 0.1015
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.011 0.0242
Schistosoma mansoni patched 1 0.0083 0.0305 0.0769
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0056 0.016
Entamoeba histolytica hypothetical protein 0.0035 0.0105 0.0389
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.002 0.004 0.2053
Brugia malayi Myosin head containing protein 0.0012 0.0007 0.0085
Loa Loa (eye worm) hypothetical protein 0.0018 0.0031 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.002 0.004 0.0201
Schistosoma mansoni hypothetical protein 0.0064 0.0223 0.0546
Loa Loa (eye worm) hypothetical protein 0.0023 0.0055 0.013
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.0556 0.0535
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0035 0.2251
Toxoplasma gondii phosphoglycerate mutase family protein 0.0015 0.0021 0.1131
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.011 0.0242
Brugia malayi hypothetical protein 0.0035 0.0105 0.1286
Onchocerca volvulus 0.002 0.004 0.0088
Schistosoma mansoni hypothetical protein 0.008 0.0292 0.0735
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0901 0.3711 0.3698
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0029 0.177
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0223 0.0546
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.004 0.0201
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0097 0.0353
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0035 0.0066
Loa Loa (eye worm) hypothetical protein 0.0201 0.0795 0.2127
Toxoplasma gondii ATPase, AAA family protein 0.002 0.004 0.2577
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0031 0.1277
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0056 0.016
Echinococcus granulosus pyruvate kinase 0.0033 0.0097 0.0206
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.004 0.005
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0035 0.0155
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Toxoplasma gondii phosphoglycerate mutase family protein 0.0015 0.0021 0.1131
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0097 0.0244
Echinococcus granulosus pyruvate kinase 0.0017 0.0029 0.0022
Entamoeba histolytica hypothetical protein 0.0035 0.0105 0.0389
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.011 0.1354
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0081 0.006
Leishmania major hypothetical protein, conserved 0.0037 0.011 0.0242
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.004 0.005
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0035 0.0038
Loa Loa (eye worm) hypothetical protein 0.0886 0.3648 0.9829
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0056 0.0093
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0097 0.0244
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0076 0.015
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0031 0.1896
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0035 0.0038
Chlamydia trachomatis pyruvate kinase 0.0033 0.0097 1
Onchocerca volvulus 0.0037 0.011 0.028
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.011 0.0977
Echinococcus granulosus expressed conserved protein 0.0182 0.0717 0.1886
Trichomonas vaginalis conserved hypothetical protein 0.002 0.004 0.0201
Trichomonas vaginalis conserved hypothetical protein 0.002 0.004 0.0201
Brugia malayi Calcitonin receptor-like protein seb-1 0.0201 0.0795 0.9739
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0097 0.0206
Toxoplasma gondii phosphoglycerate mutase family protein 0.0015 0.0021 0.1131
Loa Loa (eye worm) hypothetical protein 0.0901 0.3711 1
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.004 0.005
Brugia malayi protein C24B5.3 0.0012 0.0007 0.0085
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0015 0.0021 0.1131
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.011 0.0979
Loa Loa (eye worm) hypothetical protein 0.0137 0.053 0.1412
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0056 0.0682
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0097 0.0831
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0901 0.3711 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0105 0.0227
Schistosoma mansoni hypothetical protein 0.008 0.0292 0.0735
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0056 0.3855
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0081 0.0162
Entamoeba histolytica hypothetical protein 0.0035 0.0105 0.0389
Loa Loa (eye worm) hypothetical protein 0.0018 0.0031 0.0065
Leishmania major pyruvate kinase 0.0033 0.0097 0.0206
Mycobacterium tuberculosis Conserved protein 0.0037 0.011 0.0979
Echinococcus multilocularis pyruvate kinase 0.0033 0.0097 0.0076
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0056 0.016
Schistosoma mansoni hypothetical protein 0.008 0.0292 0.0735
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0197 0.0779 0.2053
Echinococcus granulosus Niemann Pick C1 protein 0.0194 0.0766 0.2019
Mycobacterium leprae Probable lipase LipE 0.0037 0.011 1
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0097 0.7117

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 60 % Cytotoxicity against human Raji cells assessed as cell viability at 1000 molar ratio/TPA ChEMBL. 10869208

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.