Detailed information for compound 77280

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 680.786 | Formula: C40H44N2O8
  • H donors: 4 H acceptors: 8 LogP: 10.39 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCC(=O)Oc1c(c(C)cc2c1c(C#N)c(O)c(c2C(C)C)O)c1c(C)cc2c(c1OC(=O)CCCC)c(C#N)c(c(c2C(C)C)O)O
  • InChi: 1S/C40H44N2O8/c1-9-11-13-27(43)49-39-31(21(7)15-23-29(19(3)4)37(47)35(45)25(17-41)33(23)39)32-22(8)16-24-30(20(5)6)38(48)36(46)26(18-42)34(24)40(32)50-28(44)14-12-10-2/h15-16,19-20,45-48H,9-14H2,1-8H3
  • InChiKey: CDSHWWDKIJAWNR-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lactate dehydrogenase C Starlite/ChEMBL References
Homo sapiens aldo-keto reductase family 1, member B1 (aldose reductase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus lactate dehydrogenase a 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
Neospora caninum Oxidoreductase, aldo/keto reductase family, related Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus lactate dehydrogenase protein Get druggable targets OG5_126911 All targets in OG5_126911
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Cryptosporidium hominis malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Schistosoma japonicum L-lactate dehydrogenase B chain, putative Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Babesia bovis lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei prostaglandin f synthase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum IPR001395,Aldo/keto reductase,domain-containing Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium yoelii malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldehyde reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Neospora caninum Malate dehydrogenase (EC 1.1.1.37), related Get druggable targets OG5_126911 All targets in OG5_126911
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae Conserved hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], putative Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium tuberculosis Probable oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum ko:K00016 L-lactate dehydrogenase [EC1.1.1.27], putative Get druggable targets OG5_126911 All targets in OG5_126911
Plasmodium yoelii l-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis L lactate dehydrogenase B chain 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
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus L lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania braziliensis malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania braziliensis aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium berghei malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni pol-related Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum L-lactate dehydrogenase A chain, putative 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
Cryptosporidium parvum lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi 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
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae PROBABLE OXIDOREDUCTASE Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense prostaglandin f synthase. putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium ulcerans oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium knowlesi L-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis L lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Theileria parva L-lactate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Neospora caninum Malate dehydrogenase (EC 1.1.1.37), related 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
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Cryptosporidium parvum malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase 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
Toxoplasma gondii lactate dehydrogenase LDH1 Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania infantum aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania donovani prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Toxoplasma gondii malate dehydrogenase MDH Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania infantum aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium falciparum malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium vivax lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis lactate dehydrogenase protein Get druggable targets OG5_126911 All targets in OG5_126911
Neospora caninum Malate dehydrogenase (NAD) (EC 1.1.1.37) (Precursor), related Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania braziliensis prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Plasmodium falciparum L-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Schistosoma japonicum ko:K00016 L-lactate dehydrogenase [EC1.1.1.27], putative Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
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
Trypanosoma brucei aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Cryptosporidium hominis lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus L lactate dehydrogenase B chain Get druggable targets OG5_126911 All targets in OG5_126911
Entamoeba histolytica malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Schistosoma mansoni L-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Conserved protein aldo-keto reductase family 1, member B1 (aldose reductase) 316 aa 325 aa 24.6 %
Plasmodium falciparum lactate dehydrogenase, putative lactate dehydrogenase C 332 aa 307 aa 29.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi thymidine kinase, putative 0.0116717 1 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.00640072 0.46482 0.519188
Toxoplasma gondii thymidylate kinase 0.0106404 0.895283 1
Loa Loa (eye worm) oxidoreductase 0.00220987 0.0393099 0.0439077
Echinococcus granulosus aldo keto reductase 0.00220987 0.0393099 0.0439077
Brugia malayi lactate dehydrogenase. 0.00640072 0.46482 0.519188
Leishmania major aldo-keto reductase-like protein 0.00220987 0.0393099 0.0393099
Leishmania major hypothetical protein, conserved 0.00422268 0.243676 0.243676
Echinococcus multilocularis aldo keto reductase 0.00220987 0.0393099 0.0439077
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.00220987 0.0393099 0.0439077
Toxoplasma gondii malate dehydrogenase MDH 0.00640072 0.46482 0.497107
Schistosoma mansoni pol-related 0.00220987 0.0393099 0.0439077
Echinococcus multilocularis lactate dehydrogenase a 0.00640072 0.46482 0.519188
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Trichomonas vaginalis thymidylate kinase, putative 0.0106404 0.895283 0.895283
Trypanosoma brucei aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Echinococcus granulosus thymidylate kinase 0.0106404 0.895283 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.00220987 0.0393099 0.0439077
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.00422268 0.243676 0.243676
Chlamydia trachomatis thymidylate kinase 0.0106404 0.895283 1
Trypanosoma cruzi thymidylate kinase, putative 0.0106404 0.895283 0.895283
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.00220987 0.0393099 0.0439077
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.00220987 0.0393099 0.0393099
Trichomonas vaginalis aldo/keto reductase, putative 0.00220987 0.0393099 0.0393099
Entamoeba histolytica aldose reductase, putative 0.00220987 0.0393099 0.0393099
Echinococcus granulosus aldo keto reductase 0.00220987 0.0393099 0.0439077
Loa Loa (eye worm) hypothetical protein 0.00220987 0.0393099 0.0439077
Schistosoma mansoni thymidylate kinase 0.0106404 0.895283 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.00220987 0.0393099 0.0393099
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.00220987 0.0393099 0.0439077
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.00220987 0.0393099 0.0393099
Leishmania major malate dehydrogenase, putative 0.00640072 0.46482 0.46482
Echinococcus multilocularis aldo keto reductase 0.00220987 0.0393099 0.0439077
Loa Loa (eye worm) thymidylate kinase 0.0106404 0.895283 1
Schistosoma mansoni hypothetical protein 0.0106404 0.895283 1
Mycobacterium ulcerans oxidoreductase 0.00220987 0.0393099 0.0439077
Echinococcus granulosus aldo keto reductase family 1 member B4 0.00220987 0.0393099 0.0439077
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0106404 0.895283 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.00220987 0.0393099 0.0439077
Echinococcus granulosus aldo keto reductase family 1 member B4 0.00220987 0.0393099 0.0439077
Trichomonas vaginalis thymidine kinase, putative 0.0116717 1 1
Plasmodium vivax malate dehydrogenase, putative 0.00640072 0.46482 0.519188
Trichomonas vaginalis aldo/keto reductase, putative 0.00220987 0.0393099 0.0393099
Echinococcus granulosus lactate dehydrogenase a 0.00640072 0.46482 0.519188
Entamoeba histolytica Thymidylate kinase, putative 0.0106404 0.895283 0.895283
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.00220987 0.0393099 0.0439077
Loa Loa (eye worm) oxidoreductase 0.00220987 0.0393099 0.0439077
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.00220987 0.0393099 0.0439077
Mycobacterium tuberculosis Probable oxidoreductase 0.00220987 0.0393099 0.0439077
Toxoplasma gondii lactate dehydrogenase LDH1 0.00640072 0.46482 0.497107
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Schistosoma mansoni malate dehydrogenase 0.00640072 0.46482 0.519188
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.00220987 0.0393099 0.0439077
Echinococcus granulosus aldo keto reductase family 1 member B4 0.00220987 0.0393099 0.0439077
Trichomonas vaginalis thymidine kinase, putative 0.0116717 1 1
Leishmania major prostaglandin f synthase, putative 0.00220987 0.0393099 0.0393099
Trypanosoma brucei thymidine kinase 0.0116717 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.00220987 0.0393099 0.0439077
Treponema pallidum thymidylate kinase (tmk) 0.0106404 0.895283 0.5
Echinococcus multilocularis L lactate dehydrogenase 0.00457802 0.279756 0.312477
Onchocerca volvulus Putative thymidylate kinase 0.0106404 0.895283 1
Trypanosoma brucei thymidylate kinase, putative 0.0106404 0.895283 0.895283
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.00220987 0.0393099 0.0439077
Entamoeba histolytica aldose reductase, putative 0.00220987 0.0393099 0.0393099
Trichomonas vaginalis thymidine kinase, putative 0.0116717 1 1
Giardia lamblia Aldose reductase 0.00220987 0.0393099 0.0393099
Echinococcus granulosus L lactate dehydrogenase 0.00457802 0.279756 0.312477
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Trypanosoma cruzi thymidylate kinase, putative 0.0106404 0.895283 0.895283
Loa Loa (eye worm) oxidoreductase 0.00220987 0.0393099 0.0439077
Echinococcus granulosus aldo keto reductase family 1 member B4 0.00220987 0.0393099 0.0439077
Leishmania major thymidylate kinase-like protein 0.0106404 0.895283 0.895283
Schistosoma mansoni thymidylate kinase 0.0106404 0.895283 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.00220987 0.0393099 0.0439077
Plasmodium vivax lactate dehydrogenase 0.00640072 0.46482 0.519188
Giardia lamblia Aldose reductase 0.00220987 0.0393099 0.0393099
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Schistosoma mansoni L-lactate dehydrogenase 0.00640072 0.46482 0.519188
Echinococcus multilocularis lactate dehydrogenase a 0.00640072 0.46482 0.519188
Schistosoma mansoni aldo-keto reductase 0.00220987 0.0393099 0.0439077
Plasmodium falciparum L-lactate dehydrogenase 0.00640072 0.46482 0.519188
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0106404 0.895283 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.00220987 0.0393099 0.0393099
Loa Loa (eye worm) oxidoreductase 0.00220987 0.0393099 0.0439077
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.00220987 0.0393099 0.0393099
Echinococcus granulosus aldo keto reductase family 1 member B4 0.00220987 0.0393099 0.0439077
Loa Loa (eye worm) hypothetical protein 0.00640072 0.46482 0.519188
Echinococcus granulosus aldo keto reductase family 1 member B4 0.00220987 0.0393099 0.0439077
Trypanosoma cruzi aldo-keto reductase 0.00220987 0.0393099 0.0393099
Echinococcus granulosus aldo keto reductase 0.00220987 0.0393099 0.0439077
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.00220987 0.0393099 0.0439077
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.00220987 0.0393099 0.0439077
Toxoplasma gondii lactate dehydrogenase LDH2 0.00640072 0.46482 0.497107
Echinococcus granulosus L lactate dehydrogenase B chain 0.00640072 0.46482 0.519188
Echinococcus granulosus lactate dehydrogenase a 0.00640072 0.46482 0.519188
Trypanosoma brucei prostaglandin f synthase 0.00220987 0.0393099 0.0393099
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0106404 0.895283 1
Trypanosoma brucei thymidylate kinase, putative 0.0106404 0.895283 0.895283
Echinococcus granulosus aldo keto reductase family 1 member B4 0.00220987 0.0393099 0.0439077
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.00220987 0.0393099 0.0439077
Plasmodium falciparum thymidylate kinase 0.0106404 0.895283 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.00220987 0.0393099 0.0439077
Echinococcus multilocularis aldo keto reductase 0.00220987 0.0393099 0.0439077
Plasmodium falciparum malate dehydrogenase 0.00640072 0.46482 0.519188
Schistosoma mansoni aldo-keto reductase 0.00220987 0.0393099 0.0439077
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.00220987 0.0393099 0.0439077
Echinococcus multilocularis lactate dehydrogenase protein 0.00640072 0.46482 0.519188
Brugia malayi thymidylate kinase 0.0106404 0.895283 1
Trichomonas vaginalis aldo/keto reductase, putative 0.00220987 0.0393099 0.0393099
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.00422268 0.243676 0.243676
Echinococcus multilocularis lactate dehydrogenase a 0.00640072 0.46482 0.519188
Loa Loa (eye worm) oxidoreductase 0.00220987 0.0393099 0.0439077
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Echinococcus multilocularis thymidylate kinase 0.0106404 0.895283 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.00220987 0.0393099 0.0439077
Giardia lamblia Thymidine kinase 0.0116717 1 1
Trypanosoma cruzi thymidine kinase, putative 0.0116717 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Mycobacterium ulcerans thymidylate kinase 0.0106404 0.895283 1
Echinococcus granulosus hypothetical protein 0.00220987 0.0393099 0.0439077
Trypanosoma cruzi aldo/keto reductase, putative 0.00220987 0.0393099 0.0393099
Giardia lamblia CDC8 0.0106404 0.895283 0.895283
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.00220987 0.0393099 0.0439077
Entamoeba histolytica malate dehydrogenase, putative 0.00640072 0.46482 0.46482
Echinococcus granulosus lactate dehydrogenase protein 0.00640072 0.46482 0.519188
Entamoeba histolytica aldose reductase, putative 0.00220987 0.0393099 0.0393099
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Plasmodium vivax thymidylate kinase, putative 0.0106404 0.895283 1
Entamoeba histolytica thymidine kinase, putative 0.0116717 1 1
Trichomonas vaginalis thymidylate kinase, putative 0.0106404 0.895283 0.895283
Trichomonas vaginalis aldo-keto reductase, putative 0.00220987 0.0393099 0.0393099
Echinococcus multilocularis aldo keto reductase 0.00220987 0.0393099 0.0439077
Leishmania major thymidine kinase, putative 0.0116717 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 12 uM Compound was tested for antimalarial activity against chloroquine-sensitive strain CDC/I/HB-3 of Plasmodium falciparum. ChEMBL. 3528492
IC50 (functional) = 12 uM Compound was tested for antimalarial activity against chloroquine-sensitive strain CDC/I/HB-3 of Plasmodium falciparum. ChEMBL. 3528492
IC50 (functional) = 16 uM Compound was tested for antimalarial activity against chloroquine-resistant strain FCB/NC1 of Plasmodium falciparum. ChEMBL. 3528492
IC50 (functional) = 16 uM Compound was tested for antimalarial activity against chloroquine-resistant strain FCB/NC1 of Plasmodium falciparum. ChEMBL. 3528492
Ki (binding) = 0.00000033 M Compound was tested for the inhibition of lactate dehydrogenase from a chloroquine-resistant strain (FCB/NC-1) of Plasmodium falciparum ChEMBL. 3528492
Ki (binding) = 4.7 uM The compound was tested for inhibitory activity against aldose reductase from human placenta ChEMBL. 1956050
Ki (binding) = 4.7 uM The compound was tested for inhibitory activity against aldose reductase from human placenta ChEMBL. 1956050
Ki (binding) = 9.1 uM Competitive inhibition of human LDH5 in presence of NADH ChEMBL. 26340601
Ki (binding) = 39 uM Competitive inhibition of human LDH1 in presence of NADH ChEMBL. 26340601

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 3528492

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

3 literature references were collected for this gene.

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