Detailed information for compound 432116

Basic information

Technical information
  • TDR Targets ID: 432116
  • Name: 2-[4-[2-[5-hydroxy-2-[(4-methoxyphenyl)methyl carbamoyl]-4-oxochromen-7-yl]oxyethyl]-2-meth oxyanilino]-2-oxoacetic acid
  • MW: 562.524 | Formula: C29H26N2O10
  • H donors: 4 H acceptors: 6 LogP: 3.73 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(=O)NCc2ccc(cc2)OC)ccc1NC(=O)C(=O)O
  • InChi: 1S/C29H26N2O10/c1-38-18-6-3-17(4-7-18)15-30-27(34)25-14-22(33)26-21(32)12-19(13-24(26)41-25)40-10-9-16-5-8-20(23(11-16)39-2)31-28(35)29(36)37/h3-8,11-14,32H,9-10,15H2,1-2H3,(H,30,34)(H,31,35)(H,36,37)
  • InChiKey: MLDHFNNJFGENAK-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-[2-[5-hydroxy-2-[(4-methoxyphenyl)methylcarbamoyl]-4-oxo-chromen-7-yl]oxyethyl]-2-methoxy-anilino]-2-oxo-acetic acid
  • 2-[4-[2-[[5-hydroxy-2-[[(4-methoxyphenyl)methylamino]-oxomethyl]-4-oxo-1-benzopyran-7-yl]oxy]ethyl]-2-methoxyanilino]-2-oxoacetic acid
  • 2-[[4-[2-[5-hydroxy-2-[(4-methoxyphenyl)methylcarbamoyl]-4-oxo-chromen-7-yl]oxyethyl]-2-methoxy-phenyl]amino]-2-oxo-ethanoic acid
  • 2-[4-[2-[5-hydroxy-4-keto-2-(p-anisylcarbamoyl)chromen-7-yl]oxyethyl]-2-methoxy-anilino]-2-keto-acetic acid
  • 2-[[4-[2-[5-hydroxy-2-[(4-methoxyphenyl)methylcarbamoyl]-4-oxochromen-7-yl]oxyethyl]-2-methoxyphenyl]amino]-2-oxoacetic acid
  • 2-[[4-[2-[5-hydroxy-2-[(4-methoxyphenyl)methylcarbamoyl]-4-oxo-chromen-7-yl]oxyethyl]-2-methoxy-phenyl]amino]-2-oxo-acetic acid
  • 2-[[4-[2-[[5-hydroxy-2-[[(4-methoxyphenyl)methylamino]-oxomethyl]-4-oxo-7-chromenyl]oxy]ethyl]-2-methoxyphenyl]amino]-2-oxoacetic acid
  • 2-[[4-[2-[5-hydroxy-4-keto-2-[(4-methoxybenzyl)carbamoyl]chromen-7-yl]oxyethyl]-2-methoxy-phenyl]amino]-2-keto-acetic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum L-lactate dehydrogenase Starlite/ChEMBL References
Plasmodium falciparum malate dehydrogenase Starlite/ChEMBL References
Sus scrofa Malate dehydrogenase mitochondrial Starlite/ChEMBL References
Sus scrofa Malate dehydrogenase cytoplasmic Starlite/ChEMBL References
Homo sapiens malate dehydrogenase 2, NAD (mitochondrial) Starlite/ChEMBL References
Homo sapiens malate dehydrogenase 1, NAD (soluble) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Malate dehydrogenase (EC 1.1.1.37), related Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis lactate dehydrogenase protein Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania braziliensis mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Neospora caninum Malate dehydrogenase (NAD) (EC 1.1.1.37) (Precursor), related Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Plasmodium berghei L-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH Get druggable targets OG5_127410 All targets in OG5_127410
Toxoplasma gondii malate dehydrogenase MDH Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus granulosus lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126911 All targets in OG5_126911
Plasmodium vivax malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma brucei glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Echinococcus granulosus cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Mycobacterium ulcerans malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Trypanosoma cruzi cytosolic malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania braziliensis cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania braziliensis malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus granulosus malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Schistosoma mansoni L-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis malate and lactate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania donovani glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Echinococcus multilocularis malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania infantum glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Theileria parva L-lactate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania major cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Schistosoma japonicum ko:K00016 L-lactate dehydrogenase [EC1.1.1.27], putative Get druggable targets OG5_126911 All targets in OG5_126911
Candida albicans similar to S. cerevisiae MDH1 (YKL085W) mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Echinococcus granulosus lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Plasmodium vivax lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Entamoeba histolytica malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus multilocularis lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania mexicana cytosolic malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trypanosoma brucei gambiense glycosomal malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania infantum malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Babesia bovis lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Plasmodium knowlesi malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Chlamydia trachomatis malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Trypanosoma cruzi glycosomal malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania donovani malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Candida albicans similar to S. cerevisiae MDH1 (YKL085W) mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Brugia malayi Malate dehydrogenase, cytoplasmic Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania braziliensis malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Candida albicans similar to S. cerevisiae MDH3 (YDL078C) peroxisomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Schistosoma japonicum L-lactate dehydrogenase B chain, putative Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania braziliensis glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Echinococcus multilocularis lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania mexicana glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate and lactate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus granulosus L lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus granulosus cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus multilocularis cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania infantum mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania mexicana malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Cryptosporidium parvum malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Brugia malayi lactate dehydrogenase. Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus multilocularis L lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Toxoplasma gondii lactate dehydrogenase LDH2 Get druggable targets OG5_126911 All targets in OG5_126911
Schistosoma mansoni malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Candida albicans similar to S. cerevisiae MDH3 (YDL078C) peroxisomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Plasmodium yoelii l-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma brucei gambiense mitochondrial malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Toxoplasma gondii lactate dehydrogenase LDH1 Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma cruzi malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Loa Loa (eye worm) malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Echinococcus multilocularis L lactate dehydrogenase B chain Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma cruzi cytosolic malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Schistosoma mansoni malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Schistosoma mansoni malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Cryptosporidium hominis lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania donovani cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania major malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Loa Loa (eye worm) malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate and lactate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania mexicana malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trypanosoma congolense cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Schistosoma mansoni malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania donovani mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Schistosoma japonicum ko:K00016 L-lactate dehydrogenase [EC1.1.1.27], putative Get druggable targets OG5_126911 All targets in OG5_126911
Candida albicans similar to all three S. cerevisiae malate dehydrogenases (YKL085W, YDL078C, YOL126C) Get druggable targets OG5_127145 All targets in OG5_127145
Schistosoma japonicum ko:K00026 malate dehydrogenase [EC1.1.1.37B], putative Get druggable targets OG5_127410 All targets in OG5_127410
Schistosoma japonicum L-lactate dehydrogenase A chain, putative Get druggable targets OG5_126911 All targets in OG5_126911
Cryptosporidium parvum lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma congolense glycosomal malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania infantum cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Plasmodium knowlesi L-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Neospora caninum Malate dehydrogenase (EC 1.1.1.37), related Get druggable targets OG5_126911 All targets in OG5_126911
Plasmodium falciparum malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma cruzi glycosomal malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Entamoeba histolytica malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania major glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Cryptosporidium hominis malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania infantum malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Echinococcus granulosus lactate dehydrogenase protein Get druggable targets OG5_126911 All targets in OG5_126911
Schistosoma japonicum ko:K00026 malate dehydrogenase [EC1.1.1.37B], putative Get druggable targets OG5_127145 All targets in OG5_127145
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor Get druggable targets OG5_127145 All targets in OG5_127145
Plasmodium falciparum L-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Giardia lamblia Malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Plasmodium berghei malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma brucei gambiense cytosolic malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trypanosoma brucei cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma congolense mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate and lactate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Plasmodium yoelii malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania mexicana malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania major mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania major malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trypanosoma brucei mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Echinococcus granulosus malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania donovani malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus granulosus L lactate dehydrogenase B chain Get druggable targets OG5_126911 All targets in OG5_126911

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma congolense malate dehydrogenase-related Malate dehydrogenase mitochondrial   338 aa 334 aa 29.9 %
Trypanosoma brucei gambiense malate dehydrogenase, putative Malate dehydrogenase mitochondrial   338 aa 338 aa 29.0 %
Schistosoma mansoni malate dehydrogenase malate dehydrogenase 1, NAD (soluble) 352 aa 343 aa 25.1 %
Trypanosoma cruzi malate dehydrogenase, putative Malate dehydrogenase mitochondrial   338 aa 339 aa 32.4 %
Leishmania infantum malate dehydrogenase, putative Malate dehydrogenase mitochondrial   338 aa 344 aa 33.7 %
Leishmania donovani malate dehydrogenase, putative Malate dehydrogenase mitochondrial   338 aa 344 aa 34.0 %
Plasmodium falciparum lactate dehydrogenase, putative malate dehydrogenase 313 aa 307 aa 40.7 %
Leishmania braziliensis malate dehydrogenase, putative Malate dehydrogenase mitochondrial   338 aa 348 aa 32.8 %
Schistosoma mansoni malate dehydrogenase Malate dehydrogenase cytoplasmic   334 aa 339 aa 25.7 %
Onchocerca volvulus 28S ribosomal protein S31, mitochondrial homolog Malate dehydrogenase mitochondrial   338 aa 310 aa 59.7 %
Toxoplasma gondii malate dehydrogenase MDH Malate dehydrogenase mitochondrial   338 aa 317 aa 28.4 %
Plasmodium falciparum L-lactate dehydrogenase malate dehydrogenase 2, NAD (mitochondrial) 296 aa 319 aa 24.1 %
Plasmodium falciparum lactate dehydrogenase, putative L-lactate dehydrogenase 316 aa 307 aa 43.0 %
Onchocerca volvulus Malate dehydrogenase cytoplasmic   334 aa 283 aa 23.7 %
Leishmania mexicana malate dehydrogenase, putative Malate dehydrogenase mitochondrial   338 aa 336 aa 33.0 %
Dictyostelium discoideum malate dehydrogenase Malate dehydrogenase mitochondrial   338 aa 356 aa 23.9 %
Leishmania major malate dehydrogenase, putative Malate dehydrogenase mitochondrial   338 aa 344 aa 33.4 %
Trypanosoma brucei malate dehydrogenase-related Malate dehydrogenase mitochondrial   338 aa 337 aa 29.7 %
Brugia malayi lactate dehydrogenase. Malate dehydrogenase cytoplasmic   334 aa 327 aa 23.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0189 0.8878 1
Loa Loa (eye worm) hypothetical protein 0.0197 1 1
Schistosoma mansoni malate dehydrogenase 0.0189 0.8878 0.8763
Plasmodium falciparum malate dehydrogenase 0.0197 1 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0197 1 0.5
Echinococcus multilocularis lactate dehydrogenase a 0.0197 1 1
Giardia lamblia Malate dehydrogenase 0.0189 0.8878 0.5
Leishmania major malate dehydrogenase 0.0173 0.6708 0.6372
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0173 0.6708 0.7271
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0173 0.6708 0.7271
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.8878 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0189 0.8878 0.6591
Schistosoma mansoni malate dehydrogenase 0.0197 1 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0189 0.8878 1
Plasmodium vivax lactate dehydrogenase 0.0197 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.8878 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.8878 1
Echinococcus granulosus lactate dehydrogenase a 0.0197 1 1
Toxoplasma gondii malate dehydrogenase MDH 0.0197 1 0.5
Echinococcus granulosus cytosolic malate dehydrogenase 0.0189 0.8878 0.6591
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0189 0.8878 1
Mycobacterium ulcerans malate dehydrogenase 0.0189 0.8878 0.5
Echinococcus multilocularis lactate dehydrogenase protein 0.0197 1 1
Echinococcus granulosus lactate dehydrogenase a 0.0197 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0189 0.8878 1
Plasmodium falciparum L-lactate dehydrogenase 0.0197 1 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0189 0.8878 0.6591
Trypanosoma brucei cytosolic malate dehydrogenase 0.0189 0.8878 1
Toxoplasma gondii lactate dehydrogenase LDH1 0.0197 1 0.5
Schistosoma mansoni malate dehydrogenase 0.0173 0.6708 0.6372
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0189 0.8878 0.5
Leishmania major cytosolic malate dehydrogenase 0.0189 0.8878 0.8763
Schistosoma mansoni L-lactate dehydrogenase 0.0197 1 1
Loa Loa (eye worm) malate dehydrogenase 0.0189 0.8878 0.6591
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0173 0.6708 0.7271
Trichomonas vaginalis malate dehydrogenase, putative 0.0129 0.0926 0.1043
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0189 0.8878 0.6591
Leishmania major glycosomal malate dehydrogenase 0.0173 0.6708 0.6372
Echinococcus granulosus L lactate dehydrogenase B chain 0.0197 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.8878 1
Trypanosoma brucei glycosomal malate dehydrogenase 0.0173 0.6708 0.7271
Echinococcus granulosus lactate dehydrogenase protein 0.0197 1 1
Echinococcus multilocularis lactate dehydrogenase a 0.0197 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.8878 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0189 0.8878 1
Schistosoma mansoni malate dehydrogenase 0.0189 0.8878 0.8763
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0189 0.8878 0.6591
Chlamydia trachomatis malate dehydrogenase 0.0189 0.8878 0.5
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0197 1 1
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0173 0.6708 0.7271
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.8878 1
Plasmodium vivax malate dehydrogenase, putative 0.0197 1 1
Leishmania major malate dehydrogenase, putative 0.0197 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.8878 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.0197 1 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.8878 1
Leishmania major mitochondrial malate dehydrogenase 0.0173 0.6708 0.6372
Echinococcus multilocularis lactate dehydrogenase a 0.0197 1 1
Entamoeba histolytica malate dehydrogenase, putative 0.0197 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0173 0.6708 0.7271
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.8878 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.8878 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.8878 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0189 0.8878 1
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0189 0.8878 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.39 uM Inhibition of pig heart mitochondrial MDH ChEMBL. 17636950
IC50 (binding) = 0.39 uM Inhibition of pig heart mitochondrial MDH ChEMBL. 17636950
IC50 (binding) = 1.75 uM Inhibition of Plasmodium falciparum LDH ChEMBL. 17636950
IC50 (binding) = 1.75 uM Inhibition of Plasmodium falciparum LDH ChEMBL. 17636950
IC50 (binding) = 2.66 uM Inhibition of Plasmodium falciparum MDH ChEMBL. 17636950
IC50 (binding) = 2.66 uM Inhibition of Plasmodium falciparum MDH ChEMBL. 17636950
IC50 (binding) = 6.31 uM Inhibition of pig cytosolic MDH ChEMBL. 17636950
IC50 (binding) = 6.31 uM Inhibition of pig cytosolic MDH ChEMBL. 17636950
IC50 (binding) = 6.78 uM Inhibition of human recombinant carboxy-terminal his-tagged MDH-1 (3 to 334) expressed in Escherichia coli using oxaloacetic acid as substrate after 10 mins by UV endpoint analysis ChEMBL. 23628333
IC50 (binding) = 8.48 uM Inhibition of human recombinant carboxy-terminal his-tagged MDH-2 (20 to 338) expressed in Escherichia coli using oxaloacetic acid as substrate after 10 mins by UV endpoint analysis ChEMBL. 23628333
IC50 (binding) = 11.4 uM Inhibition of bovine heart LDH ChEMBL. 17636950

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

2 literature references were collected for this gene.

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