Detailed information for compound 1651592

Basic information

Technical information
  • TDR Targets ID: 1651592
  • Name: (2E,3E)-3-methoxyimino-1-(4-methoxyphenyl)-2- [(4-methylphenyl)hydrazinylidene]propan-1-one
  • MW: 325.362 | Formula: C18H19N3O3
  • H donors: 1 H acceptors: 1 LogP: 4.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/N=C/C(=N\Nc1ccc(cc1)C)/C(=O)c1ccc(cc1)OC
  • InChi: 1S/C18H19N3O3/c1-13-4-8-15(9-5-13)20-21-17(12-19-24-3)18(22)14-6-10-16(23-2)11-7-14/h4-12,20H,1-3H3/b19-12+,21-17+
  • InChiKey: PNUFWUWWYIVHBO-YKTCLATHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methoxyimino-1-(4-methoxyphenyl)-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
  • (2E,3E)-3-methoxyimino-1-(4-methoxyphenyl)-2-[(4-methylphenyl)hydrazono]propan-1-one
  • 3-methoxyimino-1-(4-methoxyphenyl)-2-[(4-methylphenyl)hydrazono]propan-1-one
  • 7K-005
  • 3-(4-methoxyphenyl)-2-[2-(4-methylphenyl)hydrazono]-3-oxopropanal O-methyloxime
  • MLS000539948
  • SMR000125406

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lysine specific histone demethylase 1A 0.0158 0.0439 0.1702
Loa Loa (eye worm) hypothetical protein 0.0158 0.0439 0.8493
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0085 0.0298
Schistosoma mansoni lamin 0.0033 0.0047 0.0166
Brugia malayi amine oxidase, flavin-containing family protein 0.0158 0.0439 0.0605
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0085 0.0298
Schistosoma mansoni hypothetical protein 0.0205 0.0586 0.2279
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0041 0.0132
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0085 0.0298
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0034 0.0107
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0158 0.0439 0.1616
Mycobacterium ulcerans dehydrogenase 0.0158 0.0439 0.0585
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0085 0.0298
Echinococcus multilocularis geminin 0.0205 0.0586 0.1933
Brugia malayi intermediate filament protein 0.0033 0.0047 0.0065
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0041 0.0132
Schistosoma mansoni hypothetical protein 0.0041 0.0074 0.0271
Chlamydia trachomatis protoporphyrinogen oxidase 0.0158 0.0439 1
Schistosoma mansoni amine oxidase 0.0158 0.0439 0.1702
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0034 0.5
Echinococcus multilocularis 0.0158 0.0439 0.1443
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3014 1
Brugia malayi isocitrate dehydrogenase 0.0019 0.0005 0.0007
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2238 0.6958 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2238 0.6958 1
Plasmodium vivax hypothetical protein, conserved 0.0158 0.0439 0.1616
Loa Loa (eye worm) inositol-1 0.0045 0.0085 0.1646
Brugia malayi Telomerase reverse transcriptase 0.2333 0.7254 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0085 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0041 0.0132
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2556 0.848
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0005 0.0007
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0034 0.0107
Brugia malayi hypothetical protein 0.0158 0.0439 0.0605
Brugia malayi hypothetical protein 0.003 0.0041 0.0056
Loa Loa (eye worm) hypothetical protein 0.0158 0.0439 0.8493
Onchocerca volvulus 0.01 0.026 0.0214
Plasmodium vivax hypothetical protein, conserved 0.0158 0.0439 0.1616
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.026 0.0358
Schistosoma mansoni intermediate filament proteins 0.0033 0.0047 0.0166
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.0439 0.0672
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2556 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0085 0.0314
Trypanosoma cruzi UDP-galactopyranose mutase 0.0158 0.0439 0.1616
Loa Loa (eye worm) hypothetical protein 0.0041 0.0074 0.1437
Mycobacterium tuberculosis Possible oxidoreductase 0.0158 0.0439 0.0672
Echinococcus granulosus geminin 0.0205 0.0586 0.2279
Leishmania major hypothetical protein, conserved 0.003 0.0041 0.0132
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0085 0.0266
Leishmania major UDP-galactopyranose mutase 0.0158 0.0439 0.1616
Loa Loa (eye worm) hypothetical protein 0.0158 0.0439 0.8493
Loa Loa (eye worm) hypothetical protein 0.0158 0.0439 0.8493
Loa Loa (eye worm) hypothetical protein 0.0158 0.0439 0.8493
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0134 0.0185
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0047 0.0916
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.007 0.0101
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0034 0.0107
Loa Loa (eye worm) hypothetical protein 0.0033 0.0047 0.0916
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0134 0.2591
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0397 0.7679
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0034 0.0107
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0041 0.0132
Schistosoma mansoni inositol monophosphatase 0.0045 0.0085 0.0314
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0158 0.0439 0.1616
Echinococcus multilocularis lamin dm0 0.0033 0.0047 0.0141
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0034 0.0107
Loa Loa (eye worm) hypothetical protein 0.01 0.026 0.5027
Schistosoma mansoni amine oxidase 0.0158 0.0439 0.1702
Loa Loa (eye worm) hypothetical protein 0.0158 0.0439 0.8493
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0085 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0047 0.0065
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0877 0.2692 1
Brugia malayi SWIRM domain containing protein 0.0158 0.0439 0.0605
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.007 0.0904
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0158 0.0439 0.1702
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0158 0.0439 0.1443
Loa Loa (eye worm) hypothetical protein 0.006 0.0134 0.2591
Onchocerca volvulus 0.0158 0.0439 0.0394
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0085 0.5
Mycobacterium ulcerans monoamine oxidase 0.0158 0.0439 0.0585
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0005 0.0007
Schistosoma mansoni hypothetical protein 0.0205 0.0586 0.2279
Echinococcus granulosus lamin dm0 0.0033 0.0047 0.0166
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0397 0.7679
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.026 0.0999
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0047 0.0916
Echinococcus multilocularis lamin 0.0033 0.0047 0.0141
Trypanosoma brucei telomerase reverse transcriptase 0.0877 0.2692 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0158 0.0439 0.1616
Echinococcus multilocularis musashi 0.0033 0.0047 0.0141
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0005 0.0007
Giardia lamblia Telomerase catalytic subunit 0.0877 0.2692 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.208 0.6464 1
Leishmania major telomerase reverse transcriptase, putative 0.0877 0.2692 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0005 0.0099
Plasmodium falciparum protoporphyrinogen oxidase 0.0158 0.0439 0.1616
Onchocerca volvulus 0.0182 0.0517 0.0472
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0158 0.0439 0.1616
Brugia malayi MH2 domain containing protein 0.0144 0.0397 0.0547
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0041 0.0132
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.026 0.0847
Echinococcus granulosus lamin 0.0033 0.0047 0.0166
Echinococcus granulosus lysine specific histone demethylase 1A 0.0158 0.0439 0.1702
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0074 0.0102
Trypanosoma cruzi UDP-galactopyranose mutase 0.0158 0.0439 0.1616
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0085 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0085 0.0314
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0877 0.2692 1
Toxoplasma gondii histone lysine-specific demethylase 0.0158 0.0439 0.1616
Echinococcus multilocularis protoporphyrinogen oxidase 0.0158 0.0439 0.1443
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0034 0.0044
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0158 0.0439 1
Brugia malayi hypothetical protein 0.0182 0.0517 0.0713
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2556 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0158 0.0439 0.1616
Loa Loa (eye worm) hypothetical protein 0.0032 0.0046 0.088
Mycobacterium ulcerans oxidoreductase 0.0158 0.0439 0.0585
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0034 0.0107
Loa Loa (eye worm) hypothetical protein 0.003 0.0041 0.0787
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0158 0.0439 0.1702
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0085 0.0074
Toxoplasma gondii RNA-directed DNA polymerase 0.0877 0.2692 1
Brugia malayi hypothetical protein 0.002 0.0007 0.001
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0134 0.0185
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0085 0.0298
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0041 0.0132
Loa Loa (eye worm) hypothetical protein 0.0019 0.0005 0.0097
Plasmodium vivax telomerase reverse transcriptase, putative 0.0877 0.2692 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0005 0.0097
Echinococcus granulosus intermediate filament protein 0.0033 0.0047 0.0166
Schistosoma mansoni lamin 0.0033 0.0047 0.0166
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.026 0.0999
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0085 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.0517 1
Brugia malayi Inositol-1 0.0045 0.0085 0.0117
Plasmodium falciparum telomerase reverse transcriptase 0.0877 0.2692 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0041 0.0132
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0158 0.0439 0.0585

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4125 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) 1.5849 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 4.6109 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 19.9526 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) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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