Detailed information for compound 1136673

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 413.377 | Formula: C21H19NO8
  • H donors: 0 H acceptors: 4 LogP: 3.89 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Oc1cc(OCCCCO[N+](=O)[O-])cc2c1c(=O)cc(o2)c1ccccc1
  • InChi: 1S/C21H19NO8/c1-14(23)29-19-11-16(27-9-5-6-10-28-22(25)26)12-20-21(19)17(24)13-18(30-20)15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10H2,1H3
  • InChiKey: MEMSOEUINYSFOE-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
Mycobacterium ulcerans 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
Onchocerca volvulus 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
Brugia malayi oxidoreductase, aldo/keto reductase family 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
Leishmania donovani prostaglandin f2-alpha synthase 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
Loa Loa (eye worm) 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
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
Leishmania donovani aldehyde 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
Loa Loa (eye worm) hypothetical 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
Leishmania mexicana 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
Schistosoma japonicum IPR001395,Aldo/keto reductase,domain-containing 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 braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldehyde 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
Leishmania infantum aldo-keto reductase-like protein 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 dihydrodiol dehydrogenase, 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
Leishmania mexicana aldehyde reductase, putative,oxidoreductase, 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
Leishmania major prostaglandin f synthase, putative 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 see also nonallelic CaP19.2244 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
Echinococcus granulosus aldo keto reductase family 1 member B4 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
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
Trypanosoma brucei gambiense 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
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
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
Trypanosoma brucei prostaglandin f synthase 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
Leishmania infantum 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
Entamoeba histolytica aldose reductase, putative 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
Trypanosoma brucei gambiense 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
Leishmania major aldehyde reductase, putative,oxidoreductase, 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
Mycobacterium leprae PROBABLE 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 aldo keto reductase family 1 member B4 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
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
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni pol-related 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
Leishmania mexicana prostaglandin f synthase, 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
Entamoeba histolytica aldose 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
Echinococcus multilocularis aldo keto reductase 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 hypothetical protein 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 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
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
Toxoplasma gondii 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
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
Candida albicans similar to mammalian aldo/keto reductases 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
Leishmania infantum prostaglandin f synthase, 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
Leishmania mexicana aldo-keto reductase-like 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
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
Trichomonas vaginalis dihydrodiol dehydrogenase, 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 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
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
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 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 granulosus aldo keto reductase family 1 member B4 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
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
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
Onchocerca volvulus 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
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
Trichomonas vaginalis dihydrodiol dehydrogenase, 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
Giardia lamblia Aldose 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans hypothetical protein Aldose reductase   315 aa 322 aa 24.8 %
Mycobacterium tuberculosis Conserved protein Aldose reductase   315 aa 323 aa 25.4 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   315 aa 319 aa 18.2 %
Trypanosoma cruzi aldo/keto reductase, putative Aldose reductase   315 aa 304 aa 29.3 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   315 aa 294 aa 35.4 %
Leishmania mexicana aldo/keto reductase, putative,aldo/keto reductase family-like protein Aldose reductase   315 aa 349 aa 25.2 %
Candida albicans putative aryl alcohol dehydrogenase Aldose reductase   315 aa 326 aa 20.9 %
Neospora caninum aldo/keto reductase family oxidoreductase, putative Aldose reductase   315 aa 291 aa 21.3 %
Onchocerca volvulus Multiple coagulation factor deficiency protein 2 homolog Aldose reductase   315 aa 323 aa 40.2 %
Onchocerca volvulus Aldose reductase   315 aa 316 aa 36.7 %
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 18.2 %
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 %
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 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   315 aa 319 aa 19.7 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldose reductase   315 aa 294 aa 35.4 %
Onchocerca volvulus Aldose reductase   315 aa 324 aa 39.8 %
Candida albicans putative aryl alcohol dehydrogenase Aldose reductase   315 aa 310 aa 20.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis voltage dependent calcium channel 0.0082 0.067 0.0627
Loa Loa (eye worm) hypothetical protein 0.0164 0.1531 0.1496
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0204 0.0159
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0164 0.1531 0.1492
Loa Loa (eye worm) hypothetical protein 0.0164 0.1531 0.1496
Brugia malayi hypothetical protein 0.0164 0.1531 0.1492
Echinococcus granulosus aldo keto reductase 0.0038 0.0204 0.0164
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0204 0.0164
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0023 0.0046 0.0005
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0164 0.1531 0.1492
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Loa Loa (eye worm) hypothetical protein 0.0964 1 1
Echinococcus granulosus aldo keto reductase 0.0038 0.0204 0.0164
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0164 0.1531 1
Schistosoma mansoni aldo-keto reductase 0.0038 0.0204 0.0204
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0038 0.0204 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0204 0.0164
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0053 0.0359 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0204 0.0159
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0082 0.067 0.0627
Echinococcus multilocularis aldehyde reductase 0.0027 0.0087 0.0041
Echinococcus multilocularis sodium and chloride dependent glycine 0.0164 0.1531 0.1492
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0164 0.1531 0.1492
Schistosoma mansoni sodium/chloride dependent transporter 0.0164 0.1531 0.1531
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0204 0.0159
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0964 1 1
Schistosoma mansoni voltage-gated potassium channel 0.012 0.107 0.107
Loa Loa (eye worm) oxidoreductase 0.0038 0.0204 0.0164
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0164 0.1531 0.1531
Loa Loa (eye worm) hypothetical protein 0.0164 0.1531 0.1496
Echinococcus multilocularis voltage dependent calcium channel 0.0082 0.067 0.0627
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0204 0.0164
Loa Loa (eye worm) hypothetical protein 0.0096 0.0813 0.0775
Loa Loa (eye worm) hypothetical protein 0.0082 0.067 0.0632
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0082 0.067 0.0632
Mycobacterium ulcerans oxidoreductase 0.0038 0.0204 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0033 0.0151 0.0106
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0046 0.0005
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0164 0.1531 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0164 0.1531 0.1531
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0023 0.0046 0.0005
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0399 0.402 0.3992
Onchocerca volvulus 0.0164 0.1531 0.1354
Treponema pallidum sodium- and chloride- dependent transporter 0.0964 1 0.5
Plasmodium falciparum transporter, putative 0.0164 0.1531 0.5
Onchocerca volvulus 0.0164 0.1531 0.1354
Onchocerca volvulus 0.0164 0.1531 0.1354
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0204 0.0159
Echinococcus granulosus aldo keto reductase 0.0038 0.0204 0.0164
Plasmodium falciparum amino acid transporter, putative 0.0164 0.1531 0.5
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0082 0.067 0.067
Loa Loa (eye worm) hypothetical protein 0.0023 0.0046 0.0005
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0164 0.1531 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0164 0.1531 0.1531
Loa Loa (eye worm) hypothetical protein 0.0033 0.0151 0.011
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0204 0.0159
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0164 0.1531 0.1496
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Echinococcus multilocularis aldo keto reductase 0.0038 0.0204 0.0159
Schistosoma mansoni biogenic amine (5HT) receptor 0.0399 0.402 0.402
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0204 0.0159
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0164 0.1531 0.1531
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0204 0.0159
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0204 0.0159
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0204 0.0159
Toxoplasma gondii hypothetical protein 0.0164 0.1531 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0204 0.0159
Echinococcus granulosus sodium and chloride dependent glycine 0.0164 0.1531 0.1496
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0033 0.0151 0.011
Echinococcus granulosus voltage gated potassium channel 0.0033 0.0151 0.011
Mycobacterium tuberculosis Probable oxidoreductase 0.0038 0.0204 0.5
Schistosoma mansoni voltage-gated potassium channel 0.012 0.107 0.107
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0082 0.067 0.0632
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0046 0.0046
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0164 0.1531 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.0204 0.0159
Echinococcus multilocularis sodium and chloride dependent glycine 0.0164 0.1531 0.1492
Echinococcus multilocularis aldo keto reductase 0.0038 0.0204 0.0159
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0204 0.0159
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0204 0.0164
Plasmodium vivax hypothetical protein, conserved 0.0164 0.1531 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0204 0.1923
Loa Loa (eye worm) serotonin transporter b 0.0964 1 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0046 0.0046
Echinococcus granulosus potassium voltage gated channel subfamily H 0.011 0.0965 0.0927
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0023 0.0046 0.0005
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0204 0.0164
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0204 0.0159
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0204 0.0164
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0046 0.0046
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0164 0.1531 0.1531
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Schistosoma mansoni sodium-dependent amino acid transporter 0.0164 0.1531 0.1531
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0039 0.0212 0.0172
Echinococcus multilocularis serotonin transporter 0.0964 1 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0082 0.067 0.0627
Loa Loa (eye worm) oxidoreductase 0.0038 0.0204 0.0164
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0164 0.1531 0.1492
Echinococcus granulosus biogenic amine 5HT receptor 0.0399 0.402 0.3995
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0204 0.1923
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0082 0.067 0.0632
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0046 0.0046
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0046 0.0005
Giardia lamblia Aldose reductase 0.0038 0.0204 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0204 0.0164
Loa Loa (eye worm) oxidoreductase 0.0038 0.0204 0.0164
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0204 0.1923
Schistosoma mansoni voltage-gated potassium channel 0.0033 0.0151 0.0151
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0164 0.1531 0.1496
Onchocerca volvulus 0.0964 1 1
Toxoplasma gondii aldose reductase, putative 0.0038 0.0204 0.1094
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0164 0.1531 0.1496
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0038 0.0204 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Echinococcus granulosus hypothetical protein 0.0038 0.0204 0.0164
Loa Loa (eye worm) oxidoreductase 0.0038 0.0204 0.0164
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.011 0.0965 0.0923
Loa Loa (eye worm) hypothetical protein 0.0164 0.1531 0.1496
Loa Loa (eye worm) oxidoreductase 0.0038 0.0204 0.0164
Loa Loa (eye worm) norepinephrine transporter 0.0964 1 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.1531 0.1496
Leishmania major prostaglandin f synthase, putative 0.0038 0.0204 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0204 0.0159
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0164 0.1531 0.1496
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0164 0.1531 0.1531
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0204 0.1923
Echinococcus granulosus hyperpolarization activated cyclic 0.0023 0.0046 0.0005
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0164 0.1531 0.1492
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0164 0.1531 0.1496
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.0204 0.1923
Schistosoma mansoni voltage-gated cation channel 0.0082 0.067 0.067
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0046 0.0046
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0204 0.0164
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0204 0.0159
Loa Loa (eye worm) hypothetical protein 0.0164 0.1531 0.1496
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0164 0.1531 0.1531
Loa Loa (eye worm) hypothetical protein 0.0164 0.1531 0.1496
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0082 0.067 0.0627
Loa Loa (eye worm) hypothetical protein 0.0964 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0164 0.1531 0.1496
Schistosoma mansoni aldo-keto reductase 0.0038 0.0204 0.0204
Echinococcus multilocularis aldo keto reductase 0.0038 0.0204 0.0159
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.0204 0.1923
Echinococcus granulosus hyperpolarization activated cyclic 0.0023 0.0046 0.0005
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.011 0.0965 0.0927
Schistosoma mansoni sodium/chloride dependent transporter 0.0964 1 1
Echinococcus multilocularis sodium channel protein 0.0039 0.0212 0.0167
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Loa Loa (eye worm) hypothetical protein 0.0964 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0164 0.1531 0.1492
Toxoplasma gondii hypothetical protein 0.0164 0.1531 1
Giardia lamblia Aldose reductase 0.0038 0.0204 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0046 0.0046
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0164 0.1531 0.1492
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0204 0.0159
Entamoeba histolytica aldose reductase, putative 0.0038 0.0204 0.5
Echinococcus granulosus serotonin transporter 0.0964 1 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0023 0.0046 0.0005
Echinococcus granulosus aldehyde reductase 0.0027 0.0087 0.0046
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0082 0.067 0.0627
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0033 0.0151 0.0106
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0101 0.0869 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0101 0.0869 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0204 0.0164
Schistosoma mansoni voltage-gated potassium channel 0.0033 0.0151 0.0151
Echinococcus granulosus sodium and chloride dependent glycine 0.0164 0.1531 0.1496
Entamoeba histolytica aldose reductase, putative 0.0038 0.0204 0.5
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0082 0.067 0.0627
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0164 0.1531 0.1531
Echinococcus granulosus voltage dependent calcium channel 0.0082 0.067 0.0632
Entamoeba histolytica aldose reductase, putative 0.0038 0.0204 0.5
Loa Loa (eye worm) calcium channel 0.0082 0.067 0.0632
Loa Loa (eye worm) solute carrier family 6 member 4 0.0964 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Echinococcus multilocularis voltage gated potassium channel 0.0033 0.0151 0.0106
Schistosoma mansoni sodium/chloride dependent transporter 0.0164 0.1531 0.1531
Leishmania major aldo-keto reductase-like protein 0.0038 0.0204 0.5
Schistosoma mansoni pol-related 0.0038 0.0204 0.0204
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0082 0.067 0.067
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.0204 0.1923
Plasmodium vivax amine transporter, putative 0.0164 0.1531 0.5
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0053 0.0359 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.011 0.0965 0.0923
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0038 0.0204 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0204 0.0164

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.39 umol/L Inhibition of aldose reductase from calf lense by AR assay ChEMBL. 20395149

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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