Detailed information for compound 1768634

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.377 | Formula: C21H19NO9
  • H donors: 1 H acceptors: 4 LogP: 4.05 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)OCCCCOc1cc(O)c2c(c1)oc(cc2=O)c1ccc2c(c1)OCCO2
  • InChi: 1S/C21H19NO9/c23-15-10-14(27-5-1-2-6-30-22(25)26)11-20-21(15)16(24)12-18(31-20)13-3-4-17-19(9-13)29-8-7-28-17/h3-4,9-12,23H,1-2,5-8H2
  • InChiKey: RLWABUVFCFPHBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Aldose reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum prostaglandin f synthase, 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
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 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
Leishmania mexicana prostaglandin f2-alpha synthase 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
Onchocerca volvulus 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
Echinococcus granulosus aldo keto reductase 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 multilocularis aldo keto reductase family 1, member B4 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
Neospora caninum Oxidoreductase, aldo/keto reductase family, related 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 japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], putative 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
Leishmania donovani prostaglandin f2-alpha synthase 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
Trypanosoma brucei aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldehyde reductase, putative,oxidoreductase, 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
Echinococcus granulosus aldo keto reductase family 1 member B4 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
Giardia lamblia Aldose reductase 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 aldo keto reductase family 1 member B4 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 mexicana aldo-keto reductase-like protein 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
Mycobacterium leprae PROBABLE OXIDOREDUCTASE Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 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
Entamoeba histolytica aldose reductase, 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
Onchocerca volvulus 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
Echinococcus multilocularis 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
Trypanosoma cruzi aldo/keto reductase, putative 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 multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase 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
Trichomonas vaginalis aldo-keto reductase, putative 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
Echinococcus granulosus aldo keto reductase family 1 member B4 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 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 brucei gambiense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium ulcerans 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
Echinococcus multilocularis aldehyde 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
Trichomonas vaginalis aldo/keto reductase, putative 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
Leishmania braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 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 similar to mammalian aldo/keto reductases 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 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
Leishmania donovani aldehyde 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium tuberculosis Probable oxidoreductase 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
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 pol-related 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 aldo keto reductase family 1, member B4 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
Leishmania infantum aldo-keto reductase-like protein 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
Trichomonas vaginalis aldo-keto reductase, putative 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
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni 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
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
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
Trichomonas vaginalis aldo-keto reductase, putative 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
Onchocerca volvulus 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
Echinococcus multilocularis 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Toxoplasma gondii 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
Leishmania donovani aldo-keto reductase-like protein 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
Leishmania braziliensis 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 Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus 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
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 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
Echinococcus granulosus aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldo-keto reductase-like protein 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
Trichomonas vaginalis dihydrodiol dehydrogenase, 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
Candida albicans putative aryl alcohol dehydrogenase Aldose reductase   315 aa 326 aa 20.9 %
Leishmania mexicana aldo/keto reductase, putative,aldo/keto reductase family-like protein Aldose reductase   315 aa 349 aa 25.2 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   315 aa 319 aa 19.7 %
Toxoplasma gondii aldo/keto reductase family oxidoreductase Aldose reductase   315 aa 294 aa 24.8 %
Candida albicans similar to putative aryl alcohol dehydrogenase family Aldose reductase   315 aa 314 aa 18.2 %
Mycobacterium ulcerans hypothetical protein Aldose reductase   315 aa 322 aa 24.8 %
Trypanosoma cruzi aldo/keto reductase, putative Aldose reductase   315 aa 304 aa 29.3 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   315 aa 319 aa 18.2 %
Onchocerca volvulus Aldose reductase   315 aa 324 aa 39.8 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   315 aa 279 aa 29.7 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   315 aa 294 aa 35.4 %
Onchocerca volvulus Multiple coagulation factor deficiency protein 2 homolog Aldose reductase   315 aa 323 aa 40.2 %
Mycobacterium tuberculosis Conserved protein Aldose reductase   315 aa 323 aa 25.4 %
Onchocerca volvulus Aldose reductase   315 aa 316 aa 36.7 %
Candida albicans putative aryl alcohol dehydrogenase Aldose reductase   315 aa 310 aa 20.0 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   315 aa 294 aa 35.4 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   315 aa 279 aa 29.7 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   315 aa 319 aa 19.7 %
Neospora caninum aldo/keto reductase family oxidoreductase, putative Aldose reductase   315 aa 291 aa 21.3 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   315 aa 319 aa 18.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable oxidoreductase 0.0038 0.0636 1
Echinococcus multilocularis dual specificity mitogen activated protein 0.0511 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0636 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0636 0.0636
Echinococcus multilocularis aldehyde reductase 0.0027 0.0417 0.0417
Plasmodium falciparum aldehyde reductase, putative 0.0011 0.0098 0.5
Entamoeba histolytica aldose reductase, putative 0.0038 0.0636 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0636 0.0636
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0108 0.0108
Loa Loa (eye worm) oxidoreductase 0.0038 0.0636 0.0636
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0108 0.0108
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0636 0.0636
Echinococcus granulosus hypothetical protein 0.0038 0.0636 0.0636
Onchocerca volvulus 0.0038 0.0636 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Loa Loa (eye worm) STE/STE7/MEK7 protein kinase 0.0511 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0636 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0011 0.0098 0.0098
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0108 0.0108
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0108 0.0108
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0108 0.0108
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0108 0.0108
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0108 0.0108
Echinococcus multilocularis aldo keto reductase 0.0038 0.0636 0.0636
Schistosoma mansoni potassium channel beta 0.0011 0.0098 0.0098
Echinococcus granulosus dual specificity mitogen activated protein 0.0511 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0636 1
Loa Loa (eye worm) STE/STE7/MEK7 protein kinase 0.0511 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0108 0.0108
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0011 0.0098 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0108 0.0108
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0108 0.0108
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0636 0.0636
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0636 0.0636
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0108 0.0108
Echinococcus multilocularis voltage gated potassium channel subunit 0.0011 0.0098 0.0098
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0011 0.0098 0.0098
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0636 1
Echinococcus granulosus aldo keto reductase 0.0038 0.0636 0.0636
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0108 0.0108
Onchocerca volvulus 0.0038 0.0636 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0636 0.0636
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0012 0.0108 0.0108
Echinococcus granulosus aldehyde reductase 0.0027 0.0417 0.0417
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0636 0.0636
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0636 0.0636
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0636 0.0636
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0636 0.0636
Schistosoma mansoni coup transcription factor 0.0012 0.0108 0.0108
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0636 0.0636
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0038 0.0636 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0108 0.0108
Schistosoma mansoni protein kinase 0.0511 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0636 0.0636
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0011 0.0098 0.0098
Onchocerca volvulus 0.0038 0.0636 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0108 0.0108
Onchocerca volvulus 0.0038 0.0636 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0636 0.0636
Trypanosoma cruzi aldo/keto reductase, putative 0.0038 0.0636 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0636 0.0636
Loa Loa (eye worm) oxidoreductase 0.0038 0.0636 0.0636
Mycobacterium ulcerans oxidoreductase 0.0038 0.0636 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0636 0.0636
Onchocerca volvulus 0.0038 0.0636 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0108 0.0108
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0108 0.0108
Brugia malayi steroid hormone receptor 0.0012 0.0108 0.0108
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0636 0.0636
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0108 0.0108
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0108 0.0108
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0108 0.0108
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0108 0.0108
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0108 0.0108
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0108 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0108 0.0108
Toxoplasma gondii aldose reductase, putative 0.0038 0.0636 1
Trypanosoma cruzi aldo-keto reductase 0.0038 0.0636 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.0636 0.0636
Loa Loa (eye worm) hypothetical protein 0.0012 0.0108 0.0108
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0636 0.0636
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0038 0.0636 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0108 0.0108
Entamoeba histolytica aldose reductase, putative 0.0038 0.0636 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0108 0.0185
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0636 0.0636
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0108 0.0108
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0108 0.0108
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0108 0.0108
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0108 0.0108
Trypanosoma brucei aldo-keto reductase, putative 0.0038 0.0636 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.0636 0.0636
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0108 0.0108
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0108 0.0108
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0011 0.0098 0.0098
Entamoeba histolytica aldose reductase, putative 0.0038 0.0636 1
Onchocerca volvulus 0.0012 0.0108 0.0185
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0108 0.0108
Echinococcus multilocularis aldo keto reductase 0.0038 0.0636 0.0636
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0108 0.0108
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0038 0.0636 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0108 0.0108
Loa Loa (eye worm) oxidoreductase 0.0038 0.0636 0.0636
Schistosoma mansoni aldo-keto reductase 0.0038 0.0636 0.0636
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Onchocerca volvulus 0.0038 0.0636 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0108 0.0108
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0108 0.0185
Giardia lamblia Aldose reductase 0.0038 0.0636 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0108 0.0108
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0636 0.0636
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0636 0.0636
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0012 0.0108 0.0108
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0636 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0108 0.0108
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0108 0.0108
Plasmodium falciparum aldo-keto reductase, putative 0.0011 0.0098 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0012 0.0108 0.0108
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0636 0.0636
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0108 0.0108
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0636 0.0636
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0636 0.0636
Echinococcus granulosus aldo keto reductase 0.0038 0.0636 0.0636
Loa Loa (eye worm) hypothetical protein 0.0012 0.0108 0.0108
Plasmodium vivax aldehyde reductase, putative 0.0011 0.0098 0.5
Leishmania major prostaglandin f synthase, putative 0.0038 0.0636 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0636 1
Leishmania major aldo-keto reductase-like protein 0.0038 0.0636 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0108 0.0108
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0636 0.0636
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0108 0.0108
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0108 0.0108
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0108 0.0108
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0108 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0108 0.0108
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0108 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0108 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0108 0.0108
Brugia malayi nuclear receptor NHR-88 0.0012 0.0108 0.0108
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0636 0.0636
Brugia malayi NADH-dependent xylose reductase 0.0011 0.0098 0.0098
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0108 0.0108
Schistosoma mansoni aldo-keto reductase 0.0038 0.0636 0.0636
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0108 0.0108
Loa Loa (eye worm) oxidoreductase 0.0038 0.0636 0.0636
Mycobacterium leprae Conserved hypothetical protein 0.0027 0.0417 0.5922
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Brugia malayi nuclear hormone receptor 0.0012 0.0108 0.0108
Trypanosoma brucei prostaglandin f synthase 0.0038 0.0636 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0108 0.0108
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0108 0.0108
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0636 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0108 0.0108
Echinococcus granulosus aldo keto reductase 0.0038 0.0636 0.0636
Brugia malayi ecdysteroid receptor 0.0012 0.0108 0.0108
Giardia lamblia Aldose reductase 0.0038 0.0636 0.5
Loa Loa (eye worm) oxidoreductase 0.0038 0.0636 0.0636
Loa Loa (eye worm) hypothetical protein 0.0012 0.0108 0.0108
Schistosoma mansoni pol-related 0.0038 0.0636 0.0636
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0108 0.0108
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0108 0.0108

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.127 uM Inhibition of bovine lens aldose reductase using DL-glyceraldehyde as substrate assessed as NADPH oxidation measured for 10 mins by spectrophotometric analysis ChEMBL. 23683835
Ratio IC50 (binding) = 2.3 Ratio of 4-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)butyl nitrate IC50 to compound IC50 for bovine lens aldose reductase ChEMBL. 23683835

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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