Detailed information for compound 995973

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 415.458 | Formula: C22H26FN3O4
  • H donors: 2 H acceptors: 3 LogP: 1.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1CN(C[C@@H]1CNC1CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C
  • InChi: 1S/C22H26FN3O4/c1-11-7-25(8-13(11)6-24-14-3-4-14)19-17(23)5-15-18-21(19)30-10-12(2)26(18)9-16(20(15)27)22(28)29/h5,9,11-14,24H,3-4,6-8,10H2,1-2H3,(H,28,29)/t11-,12+,13+/m1/s1
  • InChiKey: KEZUTTDGOMZXLC-AGIUHOORSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0037 0.0035
Brugia malayi Cytochrome P450 family protein 0.0053 0.0255 0.0255
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0037 0.0037
Schistosoma mansoni ferritin light chain 0.0017 0.0018 0.0017
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0037 0.0035
Brugia malayi Cytochrome P450 family protein 0.0014 0.0001 0.0001
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0037 0.0035
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1542 1 1
Echinococcus granulosus aldo keto reductase 0.1542 1 1
Onchocerca volvulus 0.1542 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0008 0.0007
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0008 0.0007
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0008 0.0007
Mycobacterium tuberculosis Conserved protein 0.0447 0.2831 0.283
Giardia lamblia Aldose reductase 0.1542 1 0.5
Plasmodium vivax aldehyde reductase, putative 0.0447 0.2831 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.0877 0.0877
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Brugia malayi Cytochrome P450 family protein 0.0023 0.006 0.006
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0037 0.0035
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Onchocerca volvulus 0.1542 1 1
Echinococcus granulosus microtubule associated protein 2 0.0672 0.431 0.4309
Schistosoma mansoni nuclear hormone receptor 0.002 0.0037 0.0035
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0037
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0008 0.0007
Echinococcus multilocularis aldo keto reductase 0.1542 1 1
Mycobacterium ulcerans oxidoreductase 0.1542 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1542 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0037 0.0035
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0496 0.0496
Schistosoma mansoni lamin 0.0026 0.008 0.0079
Onchocerca volvulus 0.0447 0.2831 0.2804
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0037 0.0035
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0017 0.0018 0.0017
Echinococcus multilocularis neuropeptide receptor A26 0.0904 0.5828 0.5828
Schistosoma mansoni hypothetical protein 0.0166 0.0996 0.0994
Schistosoma mansoni potassium channel beta 0.0447 0.2831 0.283
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0037
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.0877 0.0877
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0447 0.2831 0.283
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0037 0.0035
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1542 1 1
Brugia malayi intermediate filament protein 0.0026 0.008 0.008
Mycobacterium tuberculosis Probable oxidoreductase 0.1542 1 1
Echinococcus multilocularis alkaline phosphatase 0.0165 0.0989 0.0988
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1542 1 1
Mycobacterium ulcerans bacterioferritin BfrB 0.0017 0.0018 0.0017
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0037 0.0037
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0017 0.0018 0.0017
Trypanosoma cruzi aldo/keto reductase, putative 0.1542 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1542 1 1
Mycobacterium leprae Possible oxidoreductase 0.0447 0.2831 0.283
Onchocerca volvulus 0.1542 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0037 0.0035
Loa Loa (eye worm) oxidoreductase 0.1542 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0037
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0037 0.0035
Schistosoma mansoni intermediate filament proteins 0.0026 0.008 0.0079
Loa Loa (eye worm) cytochrome P450 0.0014 0.0001 0.0001
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0008 0.0007
Echinococcus granulosus lamin 0.0026 0.008 0.0079
Echinococcus granulosus expressed protein 0.0017 0.0018 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0496 0.0495
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0447 0.2831 0.283
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.0255 0.0255
Schistosoma mansoni hypothetical protein 0.0047 0.0214 0.0213
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0037 0.0035
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0037
Onchocerca volvulus 0.1542 1 1
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0165 0.0989 0.0988
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0496 0.0495
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Toxoplasma gondii aldose reductase, putative 0.1542 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.006 0.006
Echinococcus multilocularis GPCR, family 2 0.0047 0.0214 0.0213
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1542 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0037 0.0037
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0008 0.0007
Brugia malayi ecdysteroid receptor 0.002 0.0037 0.0037
Trypanosoma brucei prostaglandin f synthase 0.1542 1 1
Mycobacterium ulcerans hypothetical protein 0.0447 0.2831 0.283
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0037 0.0037
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0008 0.0007
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0214 0.0213
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1542 1 1
Echinococcus granulosus aldo keto reductase 0.1542 1 1
Schistosoma mansoni ferritin 0.0017 0.0018 0.0017
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0137 0.0135
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0017 0.0018 0.0017
Trichomonas vaginalis aldo/keto reductase, putative 0.1542 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0496 0.0495
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0008 0.0007
Echinococcus multilocularis neuropeptide s receptor 0.0904 0.5828 0.5828
Brugia malayi steroid hormone receptor 0.002 0.0037 0.0037
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1542 1 1
Echinococcus granulosus FTZ F1 alpha 0.002 0.0037 0.0035
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1542 1 1
Trypanosoma brucei cytochrome P450, putative 0.0023 0.006 0.0058
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0447 0.2831 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0037 0.0037
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.006 0.0058
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.006 0.006
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1542 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0037 0.0037
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0214 0.0214
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0037 0.0037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0037 0.0037
Schistosoma mansoni ferritin light chain 0.0017 0.0018 0.0017
Schistosoma mansoni coup transcription factor 0.002 0.0037 0.0035
Echinococcus granulosus lamin dm0 0.0026 0.008 0.0079
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1542 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0214 0.0213
Echinococcus multilocularis geminin 0.0166 0.0996 0.0994
Brugia malayi cytochrome P450 0.0014 0.0001 0.0001
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0037 0.0035
Entamoeba histolytica aldose reductase, putative 0.1542 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0037 0.0035
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1542 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0447 0.2831 0.2818
Brugia malayi NADH-dependent xylose reductase 0.0447 0.2831 0.2831
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0008 0.0007
Echinococcus granulosus neuropeptide receptor A26 0.0904 0.5828 0.5828
Loa Loa (eye worm) hypothetical protein 0.1542 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0037
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0447 0.2831 0.283
Brugia malayi isocitrate dehydrogenase 0.0015 0.0008 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0037 0.0037
Echinococcus granulosus alkaline phosphatase 0.0165 0.0989 0.0988
Loa Loa (eye worm) hypothetical protein 0.0148 0.0877 0.0877
Brugia malayi nuclear hormone receptor 0.002 0.0037 0.0037
Onchocerca volvulus 0.1542 1 1
Schistosoma mansoni thyroid hormone receptor 0.002 0.0037 0.0035
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.006 0.0058
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0496 0.0495
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0447 0.2831 0.2818
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0037 0.0035
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1542 1 1
Trypanosoma cruzi aldo-keto reductase 0.1542 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0447 0.2831 0.2818
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0037
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0037 0.0035
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0214 0.0214
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1542 1 1
Schistosoma mansoni apoferritin-2 0.0017 0.0018 0.0017
Onchocerca volvulus 0.1542 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0026 0.008 0.008
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1542 1 1
Echinococcus granulosus aldehyde reductase 0.1095 0.7077 0.7076
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0047 0.0214 0.0214
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0037 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0496 0.0495
Leishmania major prostaglandin f synthase, putative 0.1542 1 1
Schistosoma mansoni ferritin 0.0017 0.0018 0.0017
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0214 0.0213
Schistosoma mansoni ferritin 0.0017 0.0018 0.0017
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1542 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1542 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1542 1 1
Echinococcus granulosus GPCR family 2 0.0047 0.0214 0.0213
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0037 0.0035
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0017 0.0018 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0672 0.431 0.4309
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0496 0.0495
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0037 0.0037
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0447 0.2831 0.283
Echinococcus multilocularis lamin dm0 0.0026 0.008 0.0079
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.0877 0.0877
Echinococcus multilocularis ferritin 0.0017 0.0018 0.0017
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0214 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0037 0.0037
Echinococcus multilocularis aldo keto reductase 0.1542 1 1
Brugia malayi hypothetical protein 0.0035 0.0137 0.0137
Schistosoma mansoni lamin 0.0026 0.008 0.0079
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0496 0.0496
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1542 1 1
Schistosoma mansoni hypothetical protein 0.0086 0.047 0.0468
Echinococcus granulosus neuropeptide s receptor 0.0904 0.5828 0.5828
Toxoplasma gondii aldo-keto reductase 0.0447 0.2831 0.283
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0037
Brugia malayi Cytochrome P450 family protein 0.0023 0.006 0.006
Echinococcus granulosus aldo keto reductase 0.1542 1 1
Schistosoma mansoni hypothetical protein 0.0101 0.057 0.0569
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0037 0.0037
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0008 0.0007
Entamoeba histolytica alcohol dehydrogenase, putative 0.0447 0.2831 0.2731
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0037 0.0035
Entamoeba histolytica aldose reductase, putative 0.1542 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1542 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0037 0.0035
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.079 0.5081 0.508
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0037 0.0037
Echinococcus multilocularis aldehyde reductase 0.1095 0.7077 0.7076
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0037 0.0035
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0037 0.0037
Entamoeba histolytica alcohol dehydrogenase, putative 0.0447 0.2831 0.2731
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1542 1 1
Schistosoma mansoni aldo-keto reductase 0.1542 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0037 0.0037
Schistosoma mansoni aldo-keto reductase 0.1542 1 1
Schistosoma mansoni hypothetical protein 0.0166 0.0996 0.0994
Echinococcus multilocularis expressed protein 0.0017 0.0018 0.0017
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1542 1 1
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0165 0.0989 0.0988
Echinococcus granulosus ferritin 0.0017 0.0018 0.0017
Mycobacterium leprae Conserved hypothetical protein 0.1095 0.7077 0.7076
Echinococcus multilocularis aldo keto reductase 0.1542 1 1
Schistosoma mansoni apoferritin-2 0.0017 0.0018 0.0017
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1542 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1542 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0008 0.0007
Echinococcus granulosus geminin 0.0166 0.0996 0.0994
Schistosoma mansoni alkaline phosphatase 0.0165 0.0989 0.0988
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0165 0.0989 0.0988
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1542 1 1
Entamoeba histolytica aldose reductase, putative 0.1542 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0037 0.0037
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0037 0.0035
Echinococcus multilocularis voltage gated potassium channel subunit 0.0447 0.2831 0.283
Trypanosoma brucei aldo-keto reductase, putative 0.1542 1 1
Mycobacterium ulcerans bacterioferritin BfrA 0.0017 0.0018 0.0017
Trypanosoma cruzi aldo/keto reductase, putative 0.0447 0.2831 0.283
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0137 0.0135
Loa Loa (eye worm) oxidoreductase 0.1542 1 1
Onchocerca volvulus 0.0026 0.008 0.0044
Schistosoma mansoni alkaline phosphatase 0.0165 0.0989 0.0988
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0137 0.0135
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.008 0.008
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0008 0.0007
Schistosoma mansoni hypothetical protein 0.0047 0.0214 0.0213
Onchocerca volvulus 0.0026 0.008 0.0044
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.008 0.008
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1542 1 1
Echinococcus multilocularis musashi 0.0026 0.008 0.0079
Loa Loa (eye worm) CYP4Cod1 0.0023 0.006 0.006
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.057 0.057
Echinococcus multilocularis aldo keto reductase 0.1542 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Schistosoma mansoni thyroid hormone receptor 0.002 0.0037 0.0035
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0037 0.0035
Leishmania major aldo-keto reductase-like protein 0.1542 1 1
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0214 0.0214
Giardia lamblia Aldose reductase 0.1542 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0037 0.0035
Leishmania major cytochrome p450-like protein 0.0023 0.006 0.0058
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1542 1 1
Schistosoma mansoni hypothetical protein 0.0047 0.0214 0.0213
Trichomonas vaginalis aldo-keto reductase, putative 0.1542 1 1
Echinococcus granulosus hypothetical protein 0.1542 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0047 0.0214 0.0213
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0496 0.0495
Schistosoma mansoni microtubule-associated protein tau 0.0672 0.431 0.4309
Plasmodium falciparum aldo-keto reductase, putative 0.0447 0.2831 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0447 0.2831 0.2831
Schistosoma mansoni ferritin 0.0017 0.0018 0.0017
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0037 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0037 0.0037
Treponema pallidum bacterioferrin (TpF1) 0.0017 0.0018 0.5
Trypanosoma brucei aldo/keto reductase, putative 0.0447 0.2831 0.283
Trichomonas vaginalis aldo-keto reductase, putative 0.0447 0.2831 0.2818
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0165 0.0989 0.0988
Schistosoma mansoni pol-related 0.1542 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0008 0.0008
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.006 0.0058
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1542 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0037 0.0035
Loa Loa (eye worm) oxidoreductase 0.1542 1 1
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0037 0.0037
Trichomonas vaginalis conserved hypothetical protein 0.0447 0.2831 0.2818
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0037 0.0037
Trichomonas vaginalis aldo/keto reductase, putative 0.1542 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0037 0.0037
Echinococcus multilocularis lamin 0.0026 0.008 0.0079
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0447 0.2831 0.283
Echinococcus granulosus intestinal type alkaline phosphatase 0.0165 0.0989 0.0988
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0008 0.0007
Loa Loa (eye worm) hypothetical protein 0.0101 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0037
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0008 0.0007
Plasmodium falciparum aldehyde reductase, putative 0.0447 0.2831 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0077 0.0077
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1542 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0037 0.0037
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0037 0.0035
Echinococcus granulosus intermediate filament protein 0.0026 0.008 0.0079
Loa Loa (eye worm) intermediate filament protein 0.0026 0.008 0.008
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1542 1 1
Brugia malayi nuclear receptor NHR-88 0.002 0.0037 0.0037
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0165 0.0989 0.0988
Loa Loa (eye worm) oxidoreductase 0.1542 1 1
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0008 0.0008
Loa Loa (eye worm) oxidoreductase 0.1542 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0447 0.2831 0.2831
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0037 0.0035
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0008 0.0007
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0137 0.0135

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) > 40 ug Toxicity in intracerebroventricularly dosed ICR mouse assessed as induction of convulsion after 2 hrs in absence of fenbufen ChEMBL. 18457383
Activity (ADMET) > 40 ug Toxicity in intracerebroventricularly dosed ICR mouse assessed as induction of convulsion after 2 hrs in presence of fenbufen ChEMBL. 18457383
MIC (functional) = 0.016 ug ml-1 Antibacterial activity against Escherichia coli NIHJ JC2 after 18 hrs by agar dilution method ChEMBL. 18457383

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

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