Detailed information for compound 900878

Basic information

Technical information
  • TDR Targets ID: 900878
  • Name: (2E)-6-acetyl-2-(1,3-benzodioxol-5-ylmethylid ene)-5-(4-dimethylaminophenyl)-7-methyl-5H-[1 ,3]thiazolo[3,2-a]pyrimidin-3-one
  • MW: 461.533 | Formula: C25H23N3O4S
  • H donors: 0 H acceptors: 2 LogP: 3.87 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C\c1ccc3c(c1)OCO3)/s2
  • InChi: 1S/C25H23N3O4S/c1-14-22(15(2)29)23(17-6-8-18(9-7-17)27(3)4)28-24(30)21(33-25(28)26-14)12-16-5-10-19-20(11-16)32-13-31-19/h5-12,23H,13H2,1-4H3/b21-12+
  • InChiKey: YNSVEGFKKUBLIH-CIAFOILYSA-N  

Network

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Synonyms

  • (2E)-6-acetyl-2-(1,3-benzodioxol-5-ylmethylene)-5-(4-dimethylaminophenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-3-one
  • (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(4-dimethylaminophenyl)-6-ethanoyl-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
  • A1851/0077920
  • AG-205/37159082

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.0017 0.042 0.1458
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.042 0.0787
Brugia malayi Cathepsin L-like precursor 0.0017 0.042 0.0482
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0014 0.0162 0.0152
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.3991 0.4559
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0012 0.003 0.0034
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0162 0.0304
Echinococcus multilocularis cysteine protease 0.0017 0.042 0.0449
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.2046 0.232
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0045 0.2466 1
Schistosoma mansoni sulfide quinone reductase 0.0012 0.003 0.0034
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0045 0.2466 0.2803
Plasmodium falciparum thioredoxin reductase 0.013 0.8719 0.8715
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Leishmania major cathepsin L-like protease 0.0017 0.042 0.0449
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0137 0.0157
Echinococcus granulosus expressed protein 0.004 0.2116 0.2427
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0162 0.0304
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.2046 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.013 0.8719 1
Echinococcus granulosus Chromobox protein 3 0.0014 0.0162 0.0186
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.003 0.0055
Brugia malayi Cathepsin L-like precursor 0.0017 0.042 0.0482
Echinococcus multilocularis cysteine protease 0.0017 0.042 0.0449
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.2466 0.2803
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0045 0.2466 0.2803
Loa Loa (eye worm) hypothetical protein 0.0014 0.0162 0.0186
Loa Loa (eye worm) ctsf protein 0.0017 0.042 0.0482
Loa Loa (eye worm) hypothetical protein 0.0014 0.0162 0.0186
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.042 0.0392
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.042 0.0787
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.2116 0.2427
Brugia malayi glutathione reductase 0.013 0.8719 1
Mycobacterium tuberculosis Possible methyltransferase (methylase) 0.0139 0.9381 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0162 0.0304
Loa Loa (eye worm) hypothetical protein 0.0014 0.0162 0.0186
Onchocerca volvulus Cathepsin L homolog 0.0017 0.042 0.1458
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.042 0.0482
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1672 0.3132
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0012 0.003 0.0144
Schistosoma mansoni chromobox protein 0.0014 0.0162 0.0186
Entamoeba histolytica protein kinase, putative 0.0032 0.1516 0.741
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.2618 0.9086
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0162 0.0186
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.3991 0.4559
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1605 0.3008
Entamoeba histolytica protein kinase, putative 0.0034 0.1672 0.8171
Echinococcus multilocularis nervana 2 0.0021 0.0705 0.0777
Plasmodium vivax vivapain-2 0.0017 0.042 0.0392
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.3991 0.4559
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0162 0.0304
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0045 0.2466 0.2443
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.042 0.0392
Brugia malayi Cathepsin L-like precursor 0.0017 0.042 0.0482
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.2881 1
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0012 0.003 0.0144
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0162 0.0304
Schistosoma mansoni intermediate filament proteins 0.0028 0.1196 0.1372
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0162 0.0304
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0045 0.2466 0.2605
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0162 0.0304
Echinococcus granulosus intermediate filament protein 0.0028 0.1196 0.1372
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.042 0.0787
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.2955 0.3366
Trypanosoma brucei rac serine-threonine kinase, putative 0.0034 0.1672 0.189
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0045 0.2466 0.2605
Onchocerca volvulus Cathepsin L homolog 0.0017 0.042 0.1458
Plasmodium vivax glutathione reductase, putative 0.013 0.8719 0.8715
Brugia malayi Cathepsin L-like precursor 0.0017 0.042 0.0482
Schistosoma mansoni glutamate synthase 0.0012 0.003 0.0034
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0014 0.0162 0.0186
Loa Loa (eye worm) hypothetical protein 0.0013 0.01 0.0114
Brugia malayi chromobox protein homolog 3 0.0047 0.2618 0.3002
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1672 0.3132
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.3991 0.4559
Onchocerca volvulus 0.0012 0.003 0.0103
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.2466 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0045 0.2466 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0045 0.2466 0.2803
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.003 0.0055
Schistosoma mansoni hypothetical protein 0.0012 0.003 0.0034
Echinococcus granulosus chromobox protein 1 0.0084 0.5337 0.6121
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.3991 0.4559
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0246 0.0282
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0045 0.2466 0.2803
Schistosoma mansoni lamin 0.0028 0.1196 0.1372
Brugia malayi Heterochromatin protein 1 0.0084 0.5337 0.6121
Onchocerca volvulus 0.0017 0.042 0.1458
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0162 0.0152
Onchocerca volvulus 0.0017 0.042 0.1458
Leishmania major cysteine peptidase A (CPA) 0.0017 0.042 0.0449
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0162 0.0304
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0162 0.0186
Mycobacterium ulcerans mycolic acid synthase UmaA 0.0139 0.9381 1
Leishmania major cathepsin L-like protease 0.0066 0.3991 0.4559
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.003 0.0055
Loa Loa (eye worm) hypothetical protein 0.0014 0.0162 0.0186
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0162 0.0792
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.1196 0.1372
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0045 0.2466 0.2605
Loa Loa (eye worm) hypothetical protein 0.0012 0.003 0.0034
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0162 0.0304
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1672 0.3132
Trichomonas vaginalis glutathione reductase, putative 0.0045 0.2466 0.462
Echinococcus granulosus cathepsin l1 0.0017 0.042 0.0482
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0162 0.0792
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0012 0.003 0.0144
Echinococcus multilocularis musashi 0.0028 0.1196 0.1342
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.2046 0.232
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0162 0.0304
Brugia malayi intermediate filament protein 0.0028 0.1196 0.1372
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.042 0.0787
Echinococcus granulosus lamin 0.0028 0.1196 0.1372
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0012 0.003 0.0055
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.013 0.8719 0.9292
Trichomonas vaginalis chromobox protein, putative 0.0084 0.5337 1
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0012 0.003 0.0055
Plasmodium vivax vivapain-2 0.0017 0.042 0.0392
Onchocerca volvulus 0.0017 0.042 0.1458
Schistosoma mansoni disulfide oxidoreductase 0.0012 0.003 0.0034
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0045 0.2466 0.2605
Mycobacterium tuberculosis Probable oxidoreductase 0.0045 0.2466 0.2605
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0162 0.0304
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.042 0.0787
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0014 0.0162 0.0133
Onchocerca volvulus 0.0014 0.0162 0.0562
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.003 0.0055
Brugia malayi Protein cec-1. 0.0014 0.0162 0.0186
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0021 0.0722 0.0829
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0045 0.2466 1
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.3991 0.4559
Trichomonas vaginalis Heterochromatin protein, putative 0.0014 0.0162 0.0304
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0045 0.2466 0.2803
Loa Loa (eye worm) hypothetical protein 0.0014 0.0162 0.0186
Schistosoma mansoni glutamate synthase 0.0012 0.003 0.0034
Trichomonas vaginalis hypothetical protein 0.0014 0.0162 0.0304
Loa Loa (eye worm) hypothetical protein 0.0037 0.1868 0.2143
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0012 0.003 0.0034
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0012 0.003 0.0144
Brugia malayi Cathepsin L-like precursor 0.0017 0.042 0.0482
Loa Loa (eye worm) AGC/AKT protein kinase 0.0034 0.1672 0.1917
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.042 0.0482
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0162 0.0304
Trichomonas vaginalis chromobox protein, putative 0.0051 0.2881 0.5399
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0162 0.0133
Loa Loa (eye worm) intermediate filament protein 0.0028 0.1196 0.1372
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0045 0.2466 0.2828
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.2046 0.232
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Trichomonas vaginalis apoptosis inducing factor, putative 0.0012 0.003 0.0055
Leishmania major cathepsin L-like protease 0.0017 0.042 0.0449
Brugia malayi p70 ribosomal S6 kinase beta 0.0032 0.1516 0.1739
Plasmodium falciparum glutathione reductase 0.0045 0.2466 0.2443
Echinococcus granulosus serine threonine protein kinase nrc 0.0021 0.0722 0.0829
Schistosoma mansoni chromobox protein 0.0084 0.5337 0.6121
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0162 0.0133
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0045 0.2466 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0045 0.2466 0.2443
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0045 0.2466 0.2803
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.3571 0.4075
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0033 0.1585 0.1818
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0162 0.0792
Entamoeba histolytica PH domain containing protein kinase, putative 0.0024 0.0878 0.4292
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.042 0.0482
Schistosoma mansoni lamin 0.0028 0.1196 0.1372
Brugia malayi SET domain containing protein 0.0014 0.0162 0.0186
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0032 0.1516 0.1739
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0162 0.0304
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.042 0.0482
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0012 0.0051 0.0025
Trypanosoma cruzi trypanothione reductase, putative 0.013 0.8719 1
Echinococcus granulosus chromobox protein 1 0.0084 0.5337 0.6121
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.2116 0.2427
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.2466 0.2803
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0021 0.0722 0.0797
Toxoplasma gondii AGC kinase 0.0032 0.1516 0.1711
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0162 0.0304
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0045 0.2466 0.2803
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0162 0.0304
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0045 0.2466 0.2443
Plasmodium vivax thioredoxin reductase, putative 0.013 0.8719 0.8715
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0045 0.2466 0.2828
Echinococcus multilocularis lamin dm0 0.0028 0.1196 0.1342
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.1196 0.1372
Treponema pallidum NADH oxidase 0.0045 0.2466 1
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0012 0.0051 0.0089
Brugia malayi M-phase phosphoprotein, mpp8 0.0014 0.0162 0.0186
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.3991 0.4559
Loa Loa (eye worm) programmed cell death 8 0.0012 0.003 0.0034
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1672 0.3132
Schistosoma mansoni serine/threonine-protein kinase 0.0024 0.0878 0.1007
Giardia lamblia Kinase, AGC PKA 0.0021 0.0722 0.2845
Entamoeba histolytica disulphide oxidoreductase, putative 0.0012 0.003 0.0144
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0012 0.003 0.0034
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0162 0.0304
Toxoplasma gondii cathepsin CPL 0.0017 0.042 0.0449
Echinococcus multilocularis chromobox protein 1 0.0084 0.5337 0.6108
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0024 0.0878 0.0977
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.042 0.2053
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.042 0.0392
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0021 0.0722 0.0695
Trypanosoma cruzi trypanothione reductase, putative 0.0045 0.2466 0.2803
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0162 0.0304
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.5337 0.6121
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.003 0.0055
Brugia malayi Associated with TFs and helicases family protein 0.0014 0.0162 0.0186
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0045 0.2466 0.2443
Echinococcus granulosus nervana 2 0.0021 0.0705 0.0809
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0014 0.0162 0.0186
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.042 0.0449
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.042 0.0787
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.2046 0.232
Brugia malayi Cathepsin L-like precursor 0.0017 0.042 0.0482
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0162 0.0304
Brugia malayi hypothetical protein 0.0014 0.0162 0.0186
Brugia malayi Protein kinase domain containing protein 0.0034 0.1672 0.1917
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0162 0.0186
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0137 0.0124
Entamoeba histolytica cysteine protease, putative 0.0017 0.042 0.2053
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1672 0.3132
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0045 0.2466 0.2803
Onchocerca volvulus 0.0028 0.1196 0.4151
Trichomonas vaginalis rotamase, putative 0.0039 0.2046 0.3833
Plasmodium falciparum glutathione reductase 0.013 0.8719 0.8715
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0012 0.0051 0.0025
Echinococcus multilocularis Glutaredoxin protein 5 0.0021 0.0705 0.0777
Leishmania major cathepsin L-like protease 0.0017 0.042 0.0449
Trichomonas vaginalis mercuric reductase, putative 0.0045 0.2466 0.462
Toxoplasma gondii NADPH-glutathione reductase 0.0045 0.2466 0.2803
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.042 0.0449
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.2618 0.4905
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0012 0.003 0.0144
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0012 0.003 0.0034
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0014 0.0162 0.0152
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0014 0.0162 0.0133
Entamoeba histolytica protein kinase 2, putative 0.0021 0.0722 0.3531
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.042 0.2053
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0045 0.2466 0.2605
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.042 0.0787
Leishmania major cathepsin L-like protease 0.0066 0.3991 0.4559
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.2046 0.232
Entamoeba histolytica protein kinase, putative 0.0034 0.1672 0.8171
Echinococcus multilocularis rac serine:threonine kinase 0.0024 0.0878 0.0977
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.3991 0.4559
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0012 0.003 0.0034
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.2466 0.2803
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0051 0.0025
Echinococcus multilocularis Chromobox protein 3 0.0014 0.0162 0.0152
Loa Loa (eye worm) CHromoDomain protein family member 0.0014 0.0162 0.0186
Echinococcus granulosus chromobox protein 2 0.0014 0.0162 0.0186
Onchocerca volvulus 0.0028 0.1196 0.4151
Loa Loa (eye worm) hypothetical protein 0.0014 0.0162 0.0186
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Leishmania major cathepsin L-like protease 0.0017 0.042 0.0449
Schistosoma mansoni serine/threonine-protein kinase 0.0024 0.0878 0.1007
Mycobacterium ulcerans methyltransferase 0.0139 0.9381 1
Onchocerca volvulus Cathepsin F homolog 0.0017 0.042 0.1458
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.042 0.0787
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.042 0.0449
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0045 0.2466 0.2605
Schistosoma mansoni chromobox protein 0.0014 0.0162 0.0186
Loa Loa (eye worm) hypothetical protein 0.0017 0.042 0.0482
Trichomonas vaginalis glutamate synthase, putative 0.0012 0.003 0.0055
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0021 0.0722 0.0797
Brugia malayi glutamate synthase 0.0012 0.003 0.0034
Onchocerca volvulus 0.0017 0.042 0.1458
Loa Loa (eye worm) hypothetical protein 0.0047 0.2618 0.3002
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.042 0.0449
Plasmodium falciparum heterochromatin protein 1 0.0014 0.0162 0.0133
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.3991 0.4559
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Leishmania major cathepsin L-like protease 0.0066 0.3991 0.4559
Brugia malayi Thioredoxin reductase 0.013 0.8719 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0045 0.2466 1
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.3991 0.4559
Echinococcus granulosus Chromo domain 0.0014 0.0162 0.0186
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0045 0.2466 0.2803
Plasmodium falciparum thioredoxin reductase 0.0045 0.2466 0.2443
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0014 0.0162 0.0186
Onchocerca volvulus 0.0017 0.042 0.1458
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0021 0.0705 0.0809
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0045 0.2466 0.2828
Onchocerca volvulus 0.0017 0.042 0.1458
Loa Loa (eye worm) glutathione reductase 0.013 0.8719 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.5337 0.6108
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0162 0.0304
Onchocerca volvulus 0.0037 0.1868 0.6485
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.3991 0.4559
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0162 0.0304
Trypanosoma cruzi Protein kinase B 0.0024 0.0878 0.0977
Loa Loa (eye worm) helicase 0.0014 0.0162 0.0186
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.003 0.0055
Schistosoma mansoni sulfide quinone reductase 0.0012 0.003 0.0034
Loa Loa (eye worm) hypothetical protein 0.0028 0.1196 0.1372
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0162 0.0304
Entamoeba histolytica hypothetical protein 0.0014 0.0162 0.0792
Toxoplasma gondii thioredoxin reductase 0.013 0.8719 1
Plasmodium vivax heterochromatin protein 1, putative 0.0014 0.0162 0.0133
Trypanosoma brucei trypanothione reductase 0.013 0.8719 1
Echinococcus granulosus glutamate synthase 0.0012 0.003 0.0034
Brugia malayi Valyl-tRNA synthetase 0.0014 0.0162 0.0186
Entamoeba histolytica hypothetical protein 0.0014 0.0162 0.0792
Mycobacterium tuberculosis Possible mycolic acid synthase UmaA 0.0139 0.9381 1
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0162 0.0186
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0014 0.0162 0.0152
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0021 0.0705 0.0777
Echinococcus granulosus nervana 2 0.0021 0.0705 0.0809
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0051 0.0025
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.042 0.0787
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0116 0.0218
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.2618 0.4905
Brugia malayi CHD4 protein 0.0014 0.0162 0.0186
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.042 0.0787
Echinococcus multilocularis Chromo domain 0.0014 0.0162 0.0152
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0162 0.0304
Trichomonas vaginalis chromobox protein, putative 0.0051 0.2881 0.5399
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0033 0.1585 0.1818
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1672 0.3132
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.042 0.0449
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.2466 0.2803
Loa Loa (eye worm) hypothetical protein 0.0014 0.0162 0.0186
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0045 0.2466 0.2803
Echinococcus granulosus lamin dm0 0.0028 0.1196 0.1372
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0051 0.0025
Giardia lamblia NADH oxidase lateral transfer candidate 0.0045 0.2466 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1605 0.3008
Plasmodium vivax phosphoethanolamine N-methyltransferase 0.0148 1 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0021 0.0722 0.0695
Trichomonas vaginalis chromobox protein, putative 0.0084 0.5337 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0012 0.003 0.0034
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0012 0.003 0.0034
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0012 0.003 0.0034
Trichomonas vaginalis glutamate synthase, putative 0.0012 0.003 0.0055
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.042 0.0482
Echinococcus granulosus Glutaredoxin protein 5 0.0021 0.0705 0.0809
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0012 0.003 0.0055
Echinococcus multilocularis lamin 0.0028 0.1196 0.1342
Schistosoma mansoni rotamase 0.004 0.2116 0.2427
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0014 0.0162 0.0152
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0246 0.0282
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0162 0.0186
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Echinococcus granulosus serine/threonine protein kinase 0.0024 0.0878 0.1007
Loa Loa (eye worm) hypothetical protein 0.0013 0.01 0.0114
Entamoeba histolytica thioredoxin reductase, putative 0.0012 0.003 0.0144
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0162 0.0304
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.042 0.0482
Loa Loa (eye worm) fibroinase 0.0017 0.042 0.0482
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1672 0.3132
Echinococcus granulosus thioredoxin glutathione reductase 0.013 0.8719 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0162 0.0304
Loa Loa (eye worm) hypothetical protein 0.0027 0.1159 0.1329
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.042 0.0482
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0012 0.003 0.0055
Entamoeba histolytica hypothetical protein 0.0014 0.0162 0.0792
Echinococcus multilocularis expressed protein 0.004 0.2116 0.2401
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0012 0.003 0.0034
Onchocerca volvulus 0.0014 0.0162 0.0562
Loa Loa (eye worm) cysteine protease 0.0017 0.042 0.0482
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Schistosoma mansoni chromobox protein 0.0084 0.5337 0.6121
Echinococcus multilocularis chromobox protein 2 0.0014 0.0162 0.0152
Leishmania major trypanothione reductase 0.013 0.8719 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0024 0.0878 0.4292
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.3991 0.4559
Schistosoma mansoni hypothetical protein 0.0014 0.0162 0.0186
Trichomonas vaginalis conserved hypothetical protein 0.004 0.2116 0.3964
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.042 0.0787
Echinococcus multilocularis nervana 2 0.0021 0.0705 0.0777
Leishmania major cathepsin L-like protease 0.0017 0.042 0.0449
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.3991 0.4559
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0012 0.003 0.0034
Schistosoma mansoni glutamate synthase 0.0012 0.003 0.0034
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.2466 0.2803
Onchocerca volvulus 0.0014 0.0162 0.0562
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0045 0.2466 0.2803
Loa Loa (eye worm) hypothetical protein 0.0013 0.0137 0.0157
Loa Loa (eye worm) thioredoxin reductase 0.013 0.8719 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.3991 0.4559
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0162 0.0304
Trichomonas vaginalis rotamase, putative 0.004 0.2116 0.3964
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.042 0.0787
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.3991 0.4559

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference

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.

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