Detailed information for compound 1396199

Basic information

Technical information
  • TDR Targets ID: 1396199
  • Name: ethyl 5-hydroxy-2-methyl-1-[2-(phenoxy)ethyl] indole-3-carboxylate
  • MW: 339.385 | Formula: C20H21NO4
  • H donors: 1 H acceptors: 2 LogP: 3.87 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)n(c2c1cc(O)cc2)CCOc1ccccc1
  • InChi: 1S/C20H21NO4/c1-3-24-20(23)19-14(2)21(18-10-9-15(22)13-17(18)19)11-12-25-16-7-5-4-6-8-16/h4-10,13,22H,3,11-12H2,1-2H3
  • InChiKey: GVQYVWYDPUKWOO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-hydroxy-2-methyl-1-[2-(phenoxy)ethyl]-3-indolecarboxylic acid ethyl ester
  • 5-hydroxy-2-methyl-1-[2-(phenoxy)ethyl]indole-3-carboxylic acid ethyl ester
  • Oprea1_236013
  • ZINC00049203
  • ST007646

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0214 0.2192 0.2125
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0121 0.0108
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0352 0.3789 0.3736
Plasmodium vivax SET domain protein, putative 0.0036 0.0121 0.0108
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.011 0.0979 0.0901
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.007 0.0515 0.0434
Schistosoma mansoni terminal deoxycytidyl transferase 0.0077 0.0601 0.0521
Loa Loa (eye worm) hypothetical protein 0.0323 0.3452 0.3396
Trypanosoma brucei unspecified product 0.0053 0.0322 0.0239
Schistosoma mansoni hypothetical protein 0.0514 0.5676 0.5639
Entamoeba histolytica deoxycytidyl transferase, putative 0.0077 0.0601 0.0589
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0043 0.0197 0.0113
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0174 0.009
Echinococcus granulosus thioredoxin glutathione reductase 0.0202 0.2048 0.198
Loa Loa (eye worm) hypothetical protein 0.0537 0.5942 0.5907
Plasmodium vivax NAD-dependent deacetylase, putative 0.0319 0.341 1
Loa Loa (eye worm) thioredoxin reductase 0.0202 0.2048 0.198
Echinococcus granulosus regulator of G protein signaling 3 0.0043 0.0197 0.0113
Trypanosoma cruzi trypanothione reductase, putative 0.0202 0.2048 0.2038
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0669 0.0657
Giardia lamblia Kinase, PLK 0.0405 0.4402 0.435
Mycobacterium ulcerans hypothetical protein 0.008 0.0633 0.0141
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0245 0.0161
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0092 0.0007
Plasmodium falciparum thioredoxin reductase 0.0202 0.2048 0.5905
Echinococcus granulosus axis inhibition protein axin 0.0043 0.0197 0.0113
Brugia malayi Pre-SET motif family protein 0.0036 0.0121 0.0121
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.0601 0.0521
Loa Loa (eye worm) hypothetical protein 0.0039 0.0158 0.0073
Trypanosoma cruzi polo-like protein kinase, putative 0.0405 0.4402 0.4395
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0515 0.0503
Schistosoma mansoni tar DNA-binding protein 0.0064 0.044 0.0358
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.0601 0.0601
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0319 0.341 0.3401
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.011 0.0979 0.0901
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.008 0.0633 0.0229
Onchocerca volvulus 0.006 0.0403 0.0722
Echinococcus multilocularis tar DNA binding protein 0.0064 0.044 0.0358
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.007 0.0515 0.0503
Plasmodium falciparum phd finger protein, putative 0.0034 0.0092 0.0021
Echinococcus multilocularis regulator of G protein signaling 3 0.0043 0.0197 0.0113
Brugia malayi Thioredoxin reductase 0.0202 0.2048 0.2048
Trichomonas vaginalis chromobox protein, putative 0.0148 0.1427 0.1416
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0092 0.0007
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.0601 0.0589
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.0601 0.0521
Loa Loa (eye worm) transcriptional regulator 0.0214 0.2192 0.2125
Loa Loa (eye worm) hypothetical protein 0.0077 0.0601 0.0521
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0515 0.0503
Echinococcus multilocularis regulator of G protein signaling 7 0.0043 0.0197 0.0113
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.007 0.0515 0.1294
Brugia malayi Pre-SET motif family protein 0.0251 0.2621 0.2621
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2029 0.2019
Brugia malayi Importin beta-1 subunit 0.0033 0.0085 0.0085
Echinococcus granulosus chromobox protein 1 0.0148 0.1427 0.1353
Treponema pallidum NADH oxidase 0.007 0.0515 0.5
Schistosoma mansoni tar DNA-binding protein 0.0064 0.044 0.0358
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0212 0.0128
Leishmania major DNA polymerase eta, putative 0.0077 0.0601 0.0589
Toxoplasma gondii histone deacetylase SIR2-like 0.0214 0.2192 0.6336
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0077 0.0601 0.0167
Schistosoma mansoni chromobox protein 0.0148 0.1427 0.1353
Trypanosoma brucei polo-like protein kinase 0.0405 0.4402 0.4354
Plasmodium vivax glutathione reductase, putative 0.0202 0.2048 0.5905
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0461 0.5054 0.8837
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0043 0.0197 0.0113
Trichomonas vaginalis chromobox protein, putative 0.009 0.0742 0.073
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.028 0.2957 0.2957
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.007 0.0515 0.0503
Schistosoma mansoni hypothetical protein 0.0352 0.3789 0.3736
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0044 0.0212 0.0128
Toxoplasma gondii thioredoxin reductase 0.0202 0.2048 0.5905
Loa Loa (eye worm) hypothetical protein 0.0057 0.0369 0.0286
Brugia malayi RNA binding protein 0.0064 0.044 0.044
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0197 0.0184
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0043 0.0197 0.0113
Echinococcus multilocularis beta adrenergic receptor kinase 0.0044 0.0212 0.0128
Trichomonas vaginalis CAMK family protein kinase 0.0405 0.4402 0.4395
Trichomonas vaginalis CAMK family protein kinase 0.0405 0.4402 0.4395
Echinococcus granulosus dna polymerase kappa 0.0077 0.0601 0.0521
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.007 0.0515 0.0434
Entamoeba histolytica serine/threonine protein kinase, putative 0.0405 0.4402 0.4395
Onchocerca volvulus 0.0286 0.3024 0.6802
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0537 0.5942 0.5936
Brugia malayi hypothetical protein 0.0043 0.0197 0.0197
Mycobacterium tuberculosis Probable reductase 0.0461 0.5054 0.8837
Loa Loa (eye worm) TAR-binding protein 0.0064 0.044 0.0358
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.007 0.0515 0.1294
Loa Loa (eye worm) hypothetical protein 0.0043 0.0197 0.0113
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0044 0.0212 0.0212
Loa Loa (eye worm) tyrosinase 1 0.028 0.2957 0.2896
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.008 0.0633 0.0621
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0601 0.0521
Trichomonas vaginalis chromobox protein, putative 0.0148 0.1427 0.1416
Schistosoma mansoni chromatin regulatory protein sir2 0.0214 0.2192 0.2125
Brugia malayi ShTK domain containing protein 0.028 0.2957 0.2957
Echinococcus multilocularis thioredoxin glutathione reductase 0.0202 0.2048 0.198
Schistosoma mansoni axis inhibition protein axin 0.0043 0.0197 0.0113
Onchocerca volvulus 0.028 0.2957 0.6646
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0092 0.0007
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0319 0.341 0.3353
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.007 0.0515 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0601 0.0521
Plasmodium falciparum glutathione reductase 0.0202 0.2048 0.5905
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0405 0.4402 0.4395
Trichomonas vaginalis CAMK family protein kinase 0.0405 0.4402 0.4395
Echinococcus granulosus citrate lyase subunit beta protein 0.008 0.0633 0.0552
Brugia malayi Regulator of G protein signaling domain containing protein 0.0043 0.0197 0.0197
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1376 0.1302
Giardia lamblia DINP protein human, muc B family 0.0077 0.0601 0.0514
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0174 0.009
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0601 0.0521
Loa Loa (eye worm) hypothetical protein 0.0036 0.0121 0.0036
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0214 0.2192 0.2182
Echinococcus granulosus chromobox protein 1 0.0148 0.1427 0.1353
Schistosoma mansoni chromatin regulatory protein sir2 0.0319 0.341 0.3353
Trichomonas vaginalis mercuric reductase, putative 0.007 0.0515 0.0503
Loa Loa (eye worm) RGS-3 protein 0.0043 0.0197 0.0113
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0121 0.0036
Onchocerca volvulus 0.0065 0.046 0.0854
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0174 0.009
Brugia malayi glutaminase DH11.1 0.0788 0.8856 0.8856
Loa Loa (eye worm) glutaminase 2 0.0788 0.8856 0.8847
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0083 0.0669 0.1338
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0121 0.0036
Plasmodium falciparum thioredoxin reductase 0.007 0.0515 0.1294
Trichomonas vaginalis CAMK family protein kinase 0.0405 0.4402 0.4395
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0214 0.2192 0.2125
Trichomonas vaginalis Citrate lyase beta chain, putative 0.008 0.0633 0.0621
Loa Loa (eye worm) hypothetical protein 0.0043 0.0197 0.0113
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.0507 0.0425
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0405 0.4402 0.4354
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0214 0.2192 0.2182
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.044 0.044
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0461 0.5054 0.8738
Loa Loa (eye worm) hypothetical protein 0.0065 0.046 0.0378
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0322 0.0239
Echinococcus multilocularis axis inhibition protein axin 0.0043 0.0197 0.0113
Echinococcus multilocularis chromobox protein 1 0.0148 0.1427 0.1353
Echinococcus multilocularis citrate lyase subunit beta protein 0.008 0.0633 0.0552
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0601 0.0521
Mycobacterium ulcerans hypothetical protein 0.008 0.0633 0.0141
Mycobacterium ulcerans DNA polymerase IV 0.0077 0.0601 0.0103
Brugia malayi jmjC domain containing protein 0.0041 0.0174 0.0174
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.0601 0.0521
Trypanosoma cruzi hypothetical protein, conserved 0.0696 0.7783 0.778
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0387 0.0374
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0387 0.0374
Brugia malayi transcriptional regulator, Sir2 family protein 0.0214 0.2192 0.2192
Brugia malayi PXA domain containing protein 0.0043 0.0197 0.0197
Entamoeba histolytica hypothetical protein 0.0043 0.0197 0.0184
Schistosoma mansoni jumonji domain containing protein 0.0087 0.0716 0.0637
Schistosoma mansoni kinase 0.0206 0.2091 0.2023
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0202 0.2048 0.2985
Trypanosoma brucei trypanothione reductase 0.0202 0.2048 0.198
Brugia malayi jmjC domain containing protein 0.011 0.0979 0.0979
Brugia malayi chromobox protein homolog 3 0.0083 0.0669 0.0669
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0077 0.0601 0.0589
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0044 0.0212 0.0128
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0515 0.0503
Echinococcus multilocularis Regulator of G protein signaling 20 0.0043 0.0197 0.0113
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.007 0.0515 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.044 0.0358
Brugia malayi Common central domain of tyrosinase family protein 0.028 0.2957 0.2957
Echinococcus multilocularis expressed protein 0.083 0.9334 0.9329
Echinococcus multilocularis regulator of G protein signaling 3 0.0043 0.0197 0.0113
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0319 0.341 0.5636
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.007 0.0515 0.0434
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0461 0.5054 0.8837
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0212 0.0128
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0077 0.0601 0.0521
Trypanosoma brucei unspecified product 0.0053 0.0322 0.0239
Brugia malayi serine/threonine-protein kinase plk-2 0.0405 0.4402 0.4402
Echinococcus granulosus dna polymerase eta 0.0077 0.0601 0.0521
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.007 0.0515 0.5
Brugia malayi RNA, U transporter 1 0.0094 0.0791 0.0791
Schistosoma mansoni chromatin regulatory protein sir2 0.0214 0.2192 0.2125
Schistosoma mansoni regulator of G protein signaling 0.0043 0.0197 0.0113
Loa Loa (eye worm) ShTK domain-containing protein 0.028 0.2957 0.2896
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0092 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0064 0.044 0.0358
Loa Loa (eye worm) hypothetical protein 0.0043 0.0197 0.0113
Loa Loa (eye worm) hypothetical protein 0.0034 0.0092 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0197 0.0184
Giardia lamblia Transcriptional regulator, Sir2 family 0.0319 0.341 0.3349
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.007 0.0515 0.1294
Brugia malayi Regulator of G protein signaling domain containing protein 0.0043 0.0197 0.0197
Trichomonas vaginalis glutathione reductase, putative 0.007 0.0515 0.0503
Schistosoma mansoni regulator of G protein signaling 0.0043 0.0197 0.0113
Mycobacterium tuberculosis Conserved protein 0.008 0.0633 0.0229
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.008 0.0633 0.0141
Loa Loa (eye worm) hypothetical protein 0.0083 0.0669 0.0589
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.0601 0.0601
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0077 0.0601 0.0521
Echinococcus multilocularis snurportin 1 0.0352 0.3789 0.3736
Mycobacterium tuberculosis Probable dehydrogenase 0.0461 0.5054 0.8837
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0197 0.0184
Leishmania major acetoin dehydrogenase e3 component-like protein 0.007 0.0515 0.0503
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0197 0.0184
Giardia lamblia NADH oxidase lateral transfer candidate 0.007 0.0515 0.0427
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0515 0.0503
Loa Loa (eye worm) hypothetical protein 0.0043 0.0197 0.0113
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0092 0.0021
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.007 0.0515 0.0503
Schistosoma mansoni regulator of G protein signaling 0.0043 0.0197 0.0113
Leishmania major DNA polymerase kappa, putative 0.0077 0.0601 0.0589
Schistosoma mansoni hypothetical protein 0.0514 0.5676 0.5639
Onchocerca volvulus 0.028 0.2957 0.6646
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0369 0.0369
Leishmania major trypanothione reductase 0.0202 0.2048 0.2038
Mycobacterium ulcerans DNA polymerase IV 0.0077 0.0601 0.0103
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0537 0.5942 0.5936
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0403 0.0321
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0319 0.341 0.3401
Trichomonas vaginalis CAMK family protein kinase 0.0405 0.4402 0.4395
Echinococcus granulosus peregrin 0.0034 0.0092 0.0007
Plasmodium vivax thioredoxin reductase, putative 0.0202 0.2048 0.5905
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0214 0.2192 0.6336
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0043 0.0197 0.0184
Mycobacterium ulcerans glutaminase 0.0788 0.8856 1
Echinococcus multilocularis dna polymerase kappa 0.0077 0.0601 0.0521
Loa Loa (eye worm) hypothetical protein 0.0058 0.0371 0.0288
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0121 0.0036
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0537 0.5942 0.5907
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0405 0.4402 0.4354
Trypanosoma cruzi hypothetical protein, conserved 0.0696 0.7783 0.778
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0319 0.341 0.3401
Loa Loa (eye worm) hypothetical protein 0.028 0.2957 0.2896
Echinococcus multilocularis chromobox protein 1 0.0148 0.1427 0.1353
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0369 0.0369
Trypanosoma cruzi trypanothione reductase, putative 0.007 0.0515 0.0503
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0077 0.0601 0.0521
Leishmania major sir2-family protein-like protein 0.0214 0.2192 0.2182
Trypanosoma brucei hypothetical protein, conserved 0.0696 0.7783 0.7764
Brugia malayi PHD-finger family protein 0.0034 0.0092 0.0092
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0601 0.0521
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.008 0.0633 0.0621
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0174 0.009
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0601 0.0521
Entamoeba histolytica hypothetical protein, conserved 0.0214 0.2192 0.2182
Loa Loa (eye worm) heterochromatin protein 1 0.0148 0.1427 0.1353
Plasmodium vivax hypothetical protein, conserved 0.0214 0.2192 0.6336
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0051 0.03 0.03
Schistosoma mansoni tyrosinase precursor 0.028 0.2957 0.2896
Mycobacterium ulcerans Sir2-like regulatory protein 0.0214 0.2192 0.201
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.007 0.0515 0.0434
Giardia lamblia Sirtuin type 2 0.0214 0.2192 0.2119
Echinococcus granulosus Regulator of G protein signaling 20 0.0043 0.0197 0.0113
Entamoeba histolytica hypothetical protein 0.0043 0.0197 0.0184
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.0601 0.0589
Echinococcus multilocularis peregrin 0.0034 0.0092 0.0007
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0245 0.0161
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0601 0.0521
Brugia malayi A-kinase anchor protein 10, precursor 0.0043 0.0197 0.0197
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.028 0.2957 0.2957
Schistosoma mansoni chromobox protein 0.0148 0.1427 0.1353
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0515 0.0503
Schistosoma mansoni regulator of G protein signaling 0.0043 0.0197 0.0113
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0601 0.0521
Brugia malayi NAD-dependent deacetylase SIRT1 0.0537 0.5942 0.5942
Echinococcus multilocularis axis inhibition protein axin 0.0043 0.0197 0.0113
Leishmania major dihydrolipoamide dehydrogenase, putative 0.007 0.0515 0.0503
Loa Loa (eye worm) glutathione reductase 0.0202 0.2048 0.198
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0092 0.0007
Mycobacterium tuberculosis Conserved hypothetical protein 0.0077 0.0601 0.0167
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0043 0.0197 0.0113
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0121 0.0036
Toxoplasma gondii histone deacetylase SIR2 0.0319 0.341 1
Loa Loa (eye worm) sirtuin 4 0.0214 0.2192 0.2125
Trichomonas vaginalis DNA polymerase eta, putative 0.0077 0.0601 0.0589
Echinococcus multilocularis regulator of G protein signaling 0.0043 0.0197 0.0113
Schistosoma mansoni chromatin regulatory protein sir2 0.0537 0.5942 0.5907
Trypanosoma brucei unspecified product 0.0077 0.0601 0.0521
Echinococcus granulosus axis inhibition protein axin 0.0043 0.0197 0.0113
Echinococcus granulosus beta-adrenergic receptor kinase 0.0044 0.0212 0.0128
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0512 0.5651 1
Brugia malayi TAR-binding protein 0.0064 0.044 0.044
Echinococcus granulosus geminin 0.0514 0.5676 0.5639
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.028 0.2957 0.2957
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0319 0.341 0.3401
Echinococcus granulosus expressed protein 0.083 0.9334 0.9329
Loa Loa (eye worm) hypothetical protein 0.0043 0.0197 0.0113
Onchocerca volvulus 0.028 0.2957 0.6646
Echinococcus granulosus regulator of G protein signaling 3 0.0043 0.0197 0.0113
Schistosoma mansoni hypothetical protein 0.0034 0.0092 0.0007
Loa Loa (eye worm) ShTK domain-containing protein 0.028 0.2957 0.2896
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0319 0.341 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0319 0.341 0.3401
Brugia malayi hypothetical protein 0.0043 0.0197 0.0197
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0121 0.0036
Loa Loa (eye worm) RNA binding protein 0.0064 0.044 0.0358
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0214 0.2192 0.2125
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0322 0.0239
Brugia malayi MH2 domain containing protein 0.0144 0.1376 0.1376
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.008 0.0633 0.0141
Onchocerca volvulus 0.028 0.2957 0.6646
Brugia malayi transcriptional regulator, Sir2 family protein 0.0214 0.2192 0.2192
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0077 0.0601 0.0521
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0537 0.5942 0.5936
Brugia malayi glutathione reductase 0.0202 0.2048 0.2048
Brugia malayi PXA domain containing protein 0.0043 0.0197 0.0197
Loa Loa (eye worm) transcriptional regulator 0.0214 0.2192 0.2125
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.008 0.0633 0.0621
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.007 0.0515 0.1294
Loa Loa (eye worm) glutaminase 0.0788 0.8856 0.8847
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.007 0.0515 0.0434
Mycobacterium ulcerans NAD-dependent deacetylase 0.0319 0.341 0.347
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0158 0.0158
Brugia malayi Heterochromatin protein 1 0.0148 0.1427 0.1427
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0043 0.0197 0.0113
Brugia malayi regulator of G-protein signaling rgs-7 0.0043 0.0197 0.0197
Loa Loa (eye worm) PXA domain-containing protein 0.0043 0.0197 0.0113
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0043 0.0197 0.0113
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.007 0.0515 0.0515
Echinococcus granulosus regulator of G protein signaling 7 0.0043 0.0197 0.0113
Schistosoma mansoni regulator of G protein signaling 0.0043 0.0197 0.0113
Trypanosoma cruzi polo-like protein kinase, putative 0.0405 0.4402 0.4395
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0197 0.0184
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0212 0.0128
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0369 0.0286
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.007 0.0515 0.0434
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0601 0.0521
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0121 0.0036
Schistosoma mansoni glutaminase 0.0788 0.8856 0.8847
Entamoeba histolytica hypothetical protein 0.0043 0.0197 0.0184
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0461 0.5054 0.8837
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1376 0.1302
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.0601 0.0589
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0669 0.0657
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.028 0.2957 0.2957
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0537 0.5942 0.5936
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0461 0.5054 0.8837
Echinococcus multilocularis regulator of G protein signaling 7 0.0043 0.0197 0.0113
Trichomonas vaginalis CAMK family protein kinase 0.0405 0.4402 0.4395
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3024 0.3015
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0537 0.5942 0.5904
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.0515 0.0503
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0197 0.0184
Echinococcus granulosus snurportin 1 0.0352 0.3789 0.3736
Schistosoma mansoni serine/threonine protein kinase 0.0405 0.4402 0.4354
Echinococcus granulosus regulator of G protein signaling 7 0.0043 0.0197 0.0113
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0174 0.009
Onchocerca volvulus Heterochromatin protein 1 homolog 0.009 0.0742 0.1508
Plasmodium falciparum glutathione reductase 0.007 0.0515 0.1294
Loa Loa (eye worm) hypothetical protein 0.028 0.2957 0.2896
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0601 0.0521
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0322 0.0239
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2621 0.2557
Echinococcus multilocularis geminin 0.0514 0.5676 0.5639
Schistosoma mansoni tar DNA-binding protein 0.0064 0.044 0.0358
Brugia malayi regulator of G-protein signaling egl-10 0.0043 0.0197 0.0197
Toxoplasma gondii NADPH-glutathione reductase 0.007 0.0515 0.1294
Leishmania major hypothetical protein, conserved 0.0696 0.7783 0.778
Mycobacterium tuberculosis Probable oxidoreductase 0.0512 0.5651 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0537 0.5942 0.5907
Brugia malayi Bromodomain containing protein 0.0034 0.0092 0.0092
Schistosoma mansoni DNA polymerase eta 0.0077 0.0601 0.0521
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0214 0.2192 0.2182
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.008 0.0633 0.0141
Onchocerca volvulus Serine\/threonine kinase homolog 0.0405 0.4402 1
Trypanosoma brucei SIR2-like protein 4, putative 0.0214 0.2192 0.2125
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0077 0.0601 0.0589
Schistosoma mansoni hypothetical protein 0.0039 0.0158 0.0073
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0319 0.341 0.3401
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0319 0.341 0.3401
Trichomonas vaginalis chromobox protein, putative 0.009 0.0742 0.073
Schistosoma mansoni z-protein (S1r protein) 0.0043 0.0197 0.0113
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.0601 0.0589
Trichomonas vaginalis CAMK family protein kinase 0.0405 0.4402 0.4395
Trichomonas vaginalis glutaminase, putative 0.0788 0.8856 0.8855
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.007 0.0515 0.1294
Schistosoma mansoni tar DNA-binding protein 0.0064 0.044 0.0358
Echinococcus multilocularis dna polymerase eta 0.0077 0.0601 0.0521
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2029 0.2019
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.0601 0.0521
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0512 0.5651 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0405 0.4402 0.4354
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.0601 0.0589
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0051 0.03 0.03
Schistosoma mansoni tyrosinase precursor 0.028 0.2957 0.2896
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0092 0.0021
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0106 0.0021
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.007 0.0515 0.0434
Schistosoma mansoni axis inhibition protein axin 0.0043 0.0197 0.0113
Echinococcus granulosus tar DNA binding protein 0.0064 0.044 0.0358
Leishmania major dihydrolipoamide dehydrogenase, putative 0.007 0.0515 0.0503
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0512 0.5651 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0197 0.0113
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0214 0.2192 0.2125

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1853 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 70.7946 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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