Detailed information for compound 1452817

Basic information

Technical information
  • TDR Targets ID: 1452817
  • Name: ethyl 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H -pyridin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzo ate
  • MW: 422.449 | Formula: C24H23FN2O4
  • H donors: 0 H acceptors: 3 LogP: 3.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)N1CCC(=CC1)c1ccc(cc1)F
  • InChi: 1S/C24H23FN2O4/c1-2-31-24(30)18-5-9-20(10-6-18)27-22(28)15-21(23(27)29)26-13-11-17(12-14-26)16-3-7-19(25)8-4-16/h3-11,21H,2,12-15H2,1H3
  • InChiKey: TVNNZYVGXKYICJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,5-dioxo-pyrrolidin-1-yl]benzoate
  • 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester
  • 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,5-diketo-pyrrolidin-1-yl]benzoic acid ethyl ester
  • MLS000049387
  • SMR000075313
  • ethyl 4-{3-[4-(4-fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl]-2,5-dioxo-1-pyrrolidinyl}benzoate
  • A3341/0141966

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus segment polarity protein dishevelled 0.0046 0.0092 0.0128
Plasmodium falciparum ataxin-2 like protein, putative 0.0107 0.0638 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0716 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0048 0.0108 0.015
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0046 0.0092 0.0092
Echinococcus multilocularis segment polarity protein dishevelled 0.0046 0.0092 0.0128
Mycobacterium tuberculosis Probable reductase 0.0104 0.0612 0.8342
Echinococcus multilocularis segment polarity protein dishevelled 0.0046 0.0092 0.0128
Echinococcus granulosus GPCR family 2 0.0364 0.2943 0.411
Toxoplasma gondii isocitrate dehydrogenase 0.01 0.0573 0.8988
Echinococcus granulosus Pleckstrin G protein interacting region 0.0046 0.0092 0.0128
Brugia malayi regulator of G-protein signaling egl-10 0.0046 0.0092 0.0092
Schistosoma mansoni hypothetical protein 0.0364 0.2943 0.411
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0314 0.0439
Schistosoma mansoni tar DNA-binding protein 0.0395 0.3222 0.4499
Brugia malayi Calcitonin receptor-like protein seb-1 0.115 1 1
Brugia malayi jmjC domain containing protein 0.0071 0.0314 0.0314
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0092 0.0128
Loa Loa (eye worm) TAR-binding protein 0.0395 0.3222 0.3222
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0612 0.8342
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0048 0.0108 0.015
Echinococcus granulosus regulator of G protein signaling 7 0.0046 0.0092 0.0128
Schistosoma mansoni hypothetical protein 0.0364 0.2943 0.411
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0364 0.2943 0.411
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0046 0.0092 0.0092
Schistosoma mansoni z-protein (S1r protein) 0.0046 0.0092 0.0128
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.716 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0077 0.0077
Echinococcus granulosus microtubule associated protein 2 0.0833 0.716 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0107 0.0638 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0364 0.2943 0.2943
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.01 0.0573 0.0801
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.01 0.0573 0.0801
Leishmania major hypothetical protein, conserved 0.0107 0.0638 1
Trypanosoma brucei PAB1-binding protein , putative 0.0107 0.0638 1
Brugia malayi hypothetical protein 0.0046 0.0092 0.0092
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0046 0.0092 0.0128
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.01 0.0573 0.0801
Schistosoma mansoni dishevelled 0.0046 0.0092 0.0128
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0335 0.0468
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0077 0.0108
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0077 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.01 0.0573 0.8829
Brugia malayi Isocitrate dehydrogenase 0.01 0.0573 0.0573
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.01 0.0573 0.8848
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0335 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0086 0.1356
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0716 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0077 0.0108
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0364 0.2943 0.411
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0077 0.5
Toxoplasma gondii hypothetical protein 0.0046 0.0092 0.1442
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0335 0.0468
Brugia malayi Pre-SET motif family protein 0.0251 0.1933 0.1933
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0941 0.8123 1
Echinococcus multilocularis GPCR, family 2 0.0364 0.2943 0.411
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0275 0.0384
Echinococcus granulosus tar DNA binding protein 0.0395 0.3222 0.4499
Echinococcus multilocularis regulator of G protein signaling 7 0.0046 0.0092 0.0128
Schistosoma mansoni hypothetical protein 0.0364 0.2943 0.411
Brugia malayi hypothetical protein 0.0069 0.0297 0.0297
Loa Loa (eye worm) hypothetical protein 0.006 0.0213 0.0213
Trypanosoma brucei trypanothione reductase 0.0046 0.0086 0.0164
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0077 0.0108
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0314 0.0439
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0077 0.0108
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0716 1
Brugia malayi DIX domain containing protein 0.0046 0.0092 0.0092
Brugia malayi latrophilin 2 splice variant baaae 0.0786 0.6734 0.6734
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0314 0.0439
Loa Loa (eye worm) hypothetical protein 0.0045 0.0077 0.0077
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0046 0.0092 0.0092
Brugia malayi Latrophilin receptor protein 2 0.0364 0.2943 0.2943
Loa Loa (eye worm) hypothetical protein 0.0046 0.0092 0.0092
Schistosoma mansoni tar DNA-binding protein 0.0395 0.3222 0.4499
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0335 0.4593
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.01 0.0573 0.8848
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0364 0.2943 0.411
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0314 0.0439
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0612 0.8342
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0335 0.5248
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0395 0.3222 0.3222
Loa Loa (eye worm) isocitrate dehydrogenase 0.01 0.0573 0.0573
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1933 0.1933
Toxoplasma gondii thioredoxin reductase 0.0046 0.0086 0.1356
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0612 0.8342
Schistosoma mansoni hypothetical protein 0.0786 0.6734 0.9404
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.01 0.0573 0.0801
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0612 0.8342
Onchocerca volvulus 0.0046 0.0092 0.0113
Echinococcus granulosus regulator of G protein signaling 7 0.0046 0.0092 0.0128
Brugia malayi glutathione reductase 0.0046 0.0086 0.0086
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0314 0.0439
Echinococcus granulosus tumor protein p63 0.0408 0.3341 0.4666
Brugia malayi jmjC domain containing protein 0.0071 0.0314 0.0314
Brugia malayi hypothetical protein 0.0107 0.0638 0.0638
Brugia malayi Thioredoxin reductase 0.0046 0.0086 0.0086
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0314 0.0439
Schistosoma mansoni regulator of G protein signaling 0.0046 0.0092 0.0128
Loa Loa (eye worm) hypothetical protein 0.0364 0.2943 0.2943
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0335 0.5
Brugia malayi TAR-binding protein 0.0395 0.3222 0.3222
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0314 0.0439
Loa Loa (eye worm) hypothetical protein 0.115 1 1
Schistosoma mansoni tar DNA-binding protein 0.0395 0.3222 0.4499
Echinococcus multilocularis regulator of G protein signaling 7 0.0046 0.0092 0.0128
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0275 0.0384
Toxoplasma gondii LsmAD domain-containing protein 0.0107 0.0638 1
Brugia malayi RNA binding protein 0.0395 0.3222 0.3222
Schistosoma mansoni dep domain containing protein 0.0046 0.0092 0.0128
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0086 0.0086
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0077 0.0108
Echinococcus multilocularis tar DNA binding protein 0.0395 0.3222 0.4499
Echinococcus multilocularis isocitrate dehydrogenase 0.01 0.0573 0.0801
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2245 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.01 0.0573 0.7728
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0077 0.0108
Loa Loa (eye worm) glutathione reductase 0.0046 0.0086 0.0086
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.01 0.0573 0.0801
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0335 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0364 0.2943 0.2943
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.01 0.0573 0.8848
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0046 0.0092 0.0113
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.01 0.0573 0.8988
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0335 0.0468
Loa Loa (eye worm) hypothetical protein 0.0046 0.0092 0.0092
Onchocerca volvulus 0.006 0.0213 0.0262
Loa Loa (eye worm) DIX domain-containing protein 0.0046 0.0092 0.0092
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0335 0.0468
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0086 0.0164
Schistosoma mansoni tar DNA-binding protein 0.0395 0.3222 0.4499
Schistosoma mansoni hypothetical protein 0.0048 0.0108 0.015
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.01 0.0573 0.0801
Loa Loa (eye worm) hypothetical protein 0.0107 0.0638 0.0638
Onchocerca volvulus 0.0286 0.2245 0.2764
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0077 0.0108
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0335 0.3941
Leishmania major trypanothione reductase 0.0046 0.0086 0.0164
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0716 1
Brugia malayi isocitrate dehydrogenase 0.01 0.0573 0.0573
Toxoplasma gondii isocitrate dehydrogenase 0.01 0.0573 0.8988
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0046 0.0092 0.0128
Loa Loa (eye worm) RNA binding protein 0.0395 0.3222 0.3222
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0612 0.8342
Loa Loa (eye worm) hypothetical protein 0.0786 0.6734 0.6734
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.716 1
Loa Loa (eye worm) hypothetical protein 0.0941 0.8123 0.8123
Loa Loa (eye worm) hypothetical protein 0.0046 0.0092 0.0092
Loa Loa (eye worm) pigment dispersing factor receptor c 0.115 1 1
Echinococcus multilocularis tumor protein p63 0.0408 0.3341 0.4666
Trypanosoma brucei isocitrate dehydrogenase, putative 0.01 0.0573 0.8848
Brugia malayi RNA recognition motif domain containing protein 0.0395 0.3222 0.3222
Trypanosoma cruzi PAB1-binding protein , putative 0.0107 0.0638 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.01 0.0573 0.8848
Brugia malayi hypothetical protein 0.0046 0.0092 0.0092
Schistosoma mansoni lipoxygenase 0.0067 0.0275 0.0384
Plasmodium falciparum ataxin-2 like protein, putative 0.0107 0.0638 1
Schistosoma mansoni hypothetical protein 0.0364 0.2943 0.411
Echinococcus granulosus segment polarity protein dishevelled 0.0046 0.0092 0.0128
Schistosoma mansoni dishevelled 0.0046 0.0092 0.0128
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0314 0.0314
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0077 0.0108
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0364 0.2943 0.411
Plasmodium vivax glutathione reductase, putative 0.0046 0.0086 0.1356
Brugia malayi N-terminal motif family protein 0.0941 0.8123 0.8123
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0092 0.0128
Schistosoma mansoni tar DNA-binding protein 0.0395 0.3222 0.4499
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0213 0.0297
Plasmodium vivax ataxin-2 like protein, putative 0.0107 0.0638 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (binding) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 112.2018 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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