Detailed information for compound 23313

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 393.459 | Formula: C21H19N3O3S
  • H donors: 1 H acceptors: 4 LogP: 4.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cc1nn(Cc2nc3c(s2)cccc3)c(=O)c2c1cc(cc2)C(C)C
  • InChi: 1S/C21H19N3O3S/c1-12(2)13-7-8-14-15(9-13)17(10-20(25)26)23-24(21(14)27)11-19-22-16-5-3-4-6-18(16)28-19/h3-9,12H,10-11H2,1-2H3,(H,25,26)
  • InChiKey: FMNLOYUWJUCGTM-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
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
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
Echinococcus multilocularis 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
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
Candida albicans see also nonallelic CaP19.2244 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
Trichomonas vaginalis aldo-keto reductase, 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
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
Trypanosoma brucei prostaglandin f synthase 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
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
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
Leishmania infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 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
Leishmania donovani aldehyde 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
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
Trypanosoma brucei 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
Leishmania infantum aldo-keto reductase-like protein 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 cruzi 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
Leishmania donovani prostaglandin f2-alpha synthase 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 multilocularis aldo keto reductase family 1, member B4 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
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
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus 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
Giardia lamblia 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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 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 granulosus 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
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
Trichomonas vaginalis aldo/keto 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
Loa Loa (eye worm) oxidoreductase 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
Mycobacterium ulcerans oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae PROBABLE 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
Mycobacterium tuberculosis Probable oxidoreductase 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
Candida albicans 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
Candida albicans similar to mammalian aldo/keto reductases 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 mexicana prostaglandin f2-alpha synthase 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
Schistosoma mansoni pol-related 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
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
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
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
Candida albicans see also nonallelic CaP19.2244 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
Entamoeba histolytica aldose 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
Trichomonas vaginalis 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
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
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
Schistosoma mansoni aldo-keto reductase 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
Trypanosoma brucei gambiense prostaglandin f synthase. 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
Echinococcus granulosus aldo keto 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 donovani prostaglandin f synthase, 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
Leishmania mexicana aldehyde reductase, putative,oxidoreductase, 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
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 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
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
Loa Loa (eye worm) hypothetical protein 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 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
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
Trypanosoma congolense aldo-keto reductase, putative 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
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus hypothetical protein 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 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
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) oxidoreductase 0.0038 0.1192 0.1192
Loa Loa (eye worm) oxidoreductase 0.0038 0.1192 0.1192
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0022 0.046 0.3858
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.1192 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0022 0.046 0.046
Onchocerca volvulus 0.0022 0.046 0.3858
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0022 0.046 0.0797
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0022 0.046 0.046
Onchocerca volvulus 0.0038 0.1192 1
Schistosoma mansoni nAChR subunit 0.0022 0.046 0.0797
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0022 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Onchocerca volvulus 0.0022 0.046 0.3858
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0022 0.046 0.3858
Schistosoma mansoni nAChR subunit 0.0022 0.046 0.0797
Brugia malayi Cation transporter family protein 0.0022 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Echinococcus multilocularis aldo keto reductase 0.0038 0.1192 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.1192 1
Schistosoma mansoni aldo-keto reductase 0.0038 0.1192 0.2066
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.1192 0.1192
Schistosoma mansoni pol-related 0.0038 0.1192 0.2066
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.1192 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.1192 1
Loa Loa (eye worm) oxidoreductase 0.0038 0.1192 0.1192
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0022 0.046 0.046
Leishmania major prostaglandin f synthase, putative 0.0038 0.1192 0.5
Treponema pallidum 5'-nucleotidase (ushA) 0.014 0.577 0.5
Entamoeba histolytica aldose reductase, putative 0.0038 0.1192 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0022 0.046 0.3858
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.1192 1
Onchocerca volvulus 0.0022 0.046 0.3858
Echinococcus multilocularis aldo keto reductase 0.0038 0.1192 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.1192 0.1192
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.1192 0.1192
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0022 0.046 0.046
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0022 0.046 0.3858
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0038 0.1192 0.5
Giardia lamblia Hypothetical protein 0.0057 0.2041 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.1192 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.1192 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.1192 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0022 0.046 0.046
Trypanosoma brucei prostaglandin f synthase 0.0038 0.1192 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0022 0.046 0.3858
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.0022 0.046 0.3858
Echinococcus multilocularis glycine receptor subunit beta 0.0022 0.046 0.3858
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0022 0.046 0.046
Onchocerca volvulus 0.0022 0.046 0.3858
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0022 0.046 0.046
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0022 0.046 0.046
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0022 0.046 0.3858
Loa Loa (eye worm) hypothetical protein 0.0038 0.1192 0.1192
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0022 0.046 0.3858
Mycobacterium tuberculosis Probable oxidoreductase 0.0038 0.1192 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.1192 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0022 0.046 0.046
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.1192 1
Onchocerca volvulus 0.0038 0.1192 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0022 0.046 0.046
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0022 0.046 0.046
Schistosoma mansoni nAChR subunit 0.0022 0.046 0.0797
Echinococcus multilocularis nAChR subunit 0.0022 0.046 0.3858
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0022 0.046 0.3858
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0022 0.046 0.046
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.1192 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.1192 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.1192 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0022 0.046 0.046
Brugia malayi excitatory GABA receptor EXP-1A 0.0022 0.046 0.046
Loa Loa (eye worm) ACC-1 protein 0.0022 0.046 0.046
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.1192 1
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase 0.0139 0.5752 0.9969
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.1192 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.1192 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Schistosoma mansoni nAChR subunit 0.0022 0.046 0.0797
Mycobacterium ulcerans oxidoreductase 0.0038 0.1192 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.1192 1
Toxoplasma gondii 5'-nucleotidase, C-terminal domain-containing protein 0.014 0.577 1
Onchocerca volvulus 0.0038 0.1192 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.1192 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0022 0.046 0.3858
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0022 0.046 0.3858
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Echinococcus granulosus hypothetical protein 0.0038 0.1192 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0022 0.046 0.046
Schistosoma mansoni nAChR subunit 0.0022 0.046 0.0797
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0022 0.046 0.046
Entamoeba histolytica aldose reductase, putative 0.0038 0.1192 1
Echinococcus multilocularis aldehyde reductase 0.0027 0.0691 0.5798
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0022 0.046 0.3858
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.1192 1
Echinococcus granulosus aldo keto reductase 0.0038 0.1192 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0022 0.046 0.046
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0022 0.046 0.0797
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.1192 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Loa Loa (eye worm) ACC-1 protein 0.0022 0.046 0.046
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 1 1
Onchocerca volvulus 0.0038 0.1192 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0022 0.046 0.3858
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Echinococcus granulosus nAChR subunit 0.0022 0.046 0.3858
Schistosoma mansoni nAChR subunit 0.0022 0.046 0.0797
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.1192 0.1192
Brugia malayi Cation transporter family protein 0.0022 0.046 0.046
Toxoplasma gondii 5'-nucleotidase, C-terminal domain-containing protein 0.0057 0.2059 0.1894
Onchocerca volvulus 0.0038 0.1192 1
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase 0.014 0.577 1
Onchocerca volvulus Putative nachr subunit 0.0022 0.046 0.3858
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Entamoeba histolytica aldose reductase, putative 0.0038 0.1192 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0022 0.046 0.0797
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0022 0.046 0.3858
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0022 0.046 0.0797
Onchocerca volvulus 0.0022 0.046 0.3858
Echinococcus granulosus glycine receptor subunit alpha 1 0.0022 0.046 0.3858
Loa Loa (eye worm) oxidoreductase 0.0038 0.1192 0.1192
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0022 0.046 0.3858
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0022 0.046 0.3858
Echinococcus granulosus aldo keto reductase 0.0038 0.1192 1
Onchocerca volvulus 0.0038 0.1192 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Trichomonas vaginalis aldo/keto reductase, putative 0.0038 0.1192 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.1192 1
Leishmania major aldo-keto reductase-like protein 0.0038 0.1192 0.5
Loa Loa (eye worm) oxidoreductase 0.0038 0.1192 0.1192
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0022 0.046 0.3858
Echinococcus granulosus glycine receptor subunit beta 0.0022 0.046 0.3858
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0038 0.1192 0.5
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0038 0.1192 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0022 0.046 0.046
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0022 0.046 0.046
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.1192 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.1192 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0022 0.046 0.3858
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0022 0.046 0.0797
Echinococcus granulosus aldehyde reductase 0.0027 0.0691 0.5798
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0022 0.046 0.3858
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0022 0.046 0.3858
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.1192 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0022 0.046 0.046
Loa Loa (eye worm) LGC-31 protein 0.0022 0.046 0.046
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0038 0.1192 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0022 0.046 0.046
Onchocerca volvulus 0.0022 0.046 0.3858
Schistosoma mansoni nAChR subunit 0.0022 0.046 0.0797
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.1192 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Trypanosoma cruzi aldo-keto reductase 0.0038 0.1192 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0022 0.046 0.0797
Schistosoma mansoni aldo-keto reductase 0.0038 0.1192 0.2066
Trypanosoma brucei aldo-keto reductase, putative 0.0038 0.1192 0.5
Echinococcus granulosus aldo keto reductase 0.0038 0.1192 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0022 0.046 0.046
Echinococcus granulosus glycine receptor subunit beta 0.0022 0.046 0.3858
Trypanosoma cruzi aldo/keto reductase, putative 0.0038 0.1192 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0038 0.1192 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.1192 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0022 0.046 0.046
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0022 0.046 0.3858
Brugia malayi Cation transporter family protein 0.0022 0.046 0.046

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.00000011 M Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta. ChEMBL. 1899452
IC50 (binding) = 0.00000011 M Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta. ChEMBL. 1899452
Inhibition (functional) % In vivo inhibition of sorbitol accumulation administered orally ChEMBL. 1899452
Inhibition (functional) NT 0 % In vivo inhibition of sorbitol accumulation administered orally ChEMBL. 1899452

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

1 literature reference was collected for this gene.

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