Detailed information for compound 598818

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 818.301 | Formula: C44H46ClF2N3O8
  • H donors: 4 H acceptors: 8 LogP: 4.63 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@H]([C@@H](C(=O)O)O)C(=O)O.Clc1ccc(cc1)c1ccc(cc1)CN(C(=O)Cn1c(CCc2cccc(c2F)F)cc(=O)c2c1cccc2)C1CCN(CC1)C(C)C
  • InChi: 1S/C40H40ClF2N3O2.C4H6O6/c1-27(2)44-22-20-33(21-23-44)46(25-28-10-12-29(13-11-28)30-14-17-32(41)18-15-30)39(48)26-45-34(19-16-31-6-5-8-36(42)40(31)43)24-38(47)35-7-3-4-9-37(35)45;5-1(3(7)8)2(6)4(9)10/h3-15,17-18,24,27,33H,16,19-23,25-26H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
  • InChiKey: OKUGTPVMSFCXKP-LREBCSMRSA-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
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0073 0.1303
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0073 0.0061
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0211 0.0141
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0047 0.0139 1
Onchocerca volvulus 0.0063 0.0254 0.0213
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0284 0.1864 0.1805
Onchocerca volvulus 0.015 0.089 0.1332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0356 0.2396 0.4083
Schistosoma mansoni microtubule-associated protein tau 0.1397 1 1
Onchocerca volvulus 0.0157 0.0937 0.1414
Brugia malayi Muscleblind-like protein 0.0176 0.1078 0.18
Brugia malayi nuclear receptor RXR 0.0157 0.0937 0.1556
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0356 0.2396 0.2341
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0211 0.03
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0356 0.2396 0.2341
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0096 0.0305
Echinococcus multilocularis thyroid hormone receptor alpha 0.0356 0.2396 0.2341
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0264 0.0391
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.009 0.0447 0.0378
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0233 0.1021
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0436 0.298 0.2929
Echinococcus multilocularis chromobox protein 1 0.0144 0.0842 0.0776
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0356 0.2396 0.2341
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0047 0.0139 0.1237
Echinococcus granulosus chromobox protein 1 0.0144 0.0842 0.0776
Schistosoma mansoni hypothetical protein 0.0064 0.0264 0.0194
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0172 0.0701
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0275 0.124
Echinococcus granulosus histone lysine methyltransferase setb 0.009 0.0447 0.0378
Brugia malayi nuclear hormone receptor family member odr-7 0.0157 0.0937 0.1556
Echinococcus multilocularis transcription factor Dp 1 0.0045 0.0121 0.005
Loa Loa (eye worm) heterochromatin protein 1 0.0144 0.0842 0.1392
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0275 0.124
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0096 0.0305
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0802 0.0736
Echinococcus granulosus geminin 0.0168 0.1023 0.0958
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.056 0.0492
Schistosoma mansoni ap endonuclease 0.0038 0.0073 0.0001
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0182 0.1124 0.106
Brugia malayi nuclear receptor NHR-88 0.0157 0.0937 0.1556
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0625 0.4356 0.7475
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.1461 0.14
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.056 0.1123
Loa Loa (eye worm) hypothetical protein 0.02 0.1252 0.2102
Echinococcus multilocularis ecdysone induced protein 78C 0.0356 0.2396 0.2341
Plasmodium vivax SET domain protein, putative 0.009 0.0447 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.009 0.0447 0.0378
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0073 0.0184
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0078 0.0361 0.0559
Loa Loa (eye worm) hypothetical protein 0.0356 0.2396 0.4083
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0356 0.2396 0.2341
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0163 0.0652
Trichomonas vaginalis chromobox protein, putative 0.0144 0.0842 0.1689
Trichomonas vaginalis CAMK family protein kinase 0.014 0.0818 0.164
Schistosoma mansoni hypothetical protein 0.0064 0.0264 0.0194
Loa Loa (eye worm) hypothetical protein 0.0063 0.0254 0.0374
Brugia malayi hypothetical protein 0.0144 0.0847 0.14
Loa Loa (eye worm) hypothetical protein 0.0356 0.2396 0.4083
Brugia malayi nuclear hormone receptor 0.0356 0.2396 0.4083
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0356 0.2396 0.4083
Brugia malayi serine/threonine-protein kinase plk-2 0.0284 0.1864 0.3161
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0356 0.2396 0.4083
Onchocerca volvulus 0.0711 0.4986 0.8542
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.056 0.0904
Onchocerca volvulus 0.0113 0.0619 0.0855
Entamoeba histolytica hypothetical protein 0.0038 0.0072 0.0384
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0086 0.0423 0.0354
Onchocerca volvulus 0.0157 0.0937 0.1414
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 0.0361 0.1687
Schistosoma mansoni hypothetical protein 0.0168 0.1023 0.0958
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Loa Loa (eye worm) steroid hormone receptor 0.0793 0.5589 0.9609
Leishmania major cathepsin L-like protease 0.0066 0.0275 0.124
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.1864 0.3738
Brugia malayi Nuclear hormone receptor E75 0.0157 0.0937 0.1556
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.056 0.3003
Echinococcus multilocularis muscleblind protein 0.0176 0.1078 0.1013
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.056 0.0492
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0073 0.0324
Loa Loa (eye worm) hypothetical protein 0.0089 0.0443 0.0702
Brugia malayi nuclear receptor NHR-67 0.0157 0.0937 0.1556
Trypanosoma cruzi polo-like protein kinase, putative 0.0284 0.1864 0.9544
Mycobacterium ulcerans hypothetical protein 0.0156 0.093 0.821
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 0.0361 0.1687
Loa Loa (eye worm) hypothetical protein 0.0176 0.1078 0.18
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0284 0.1864 0.9544
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0209 0.042
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0157 0.094 0.0874
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.02 0.1252 0.1189
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0264 0.0194
Entamoeba histolytica serine/threonine protein kinase, putative 0.0284 0.1864 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0073 0.0184
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.056 0.1123
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0073 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0802 0.0736
Schistosoma mansoni retinoid-x-receptor (RXR) 0.02 0.1252 0.1189
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0356 0.2396 0.2341
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.056 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0073 0.0184
Loa Loa (eye worm) hypothetical protein 0.02 0.1252 0.2102
Schistosoma mansoni ap endonuclease 0.0038 0.0073 0.0001
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0356 0.2396 0.2341
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0356 0.2396 0.2341
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0264 0.0391
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 0.0361 0.1687
Loa Loa (eye worm) hypothetical protein 0.0228 0.1461 0.2464
Brugia malayi Heterochromatin protein 1 0.0144 0.0842 0.1392
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0073 0.0061
Schistosoma mansoni RAR-like nuclear receptor 0.0356 0.2396 0.2341
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0157 0.094 0.0874
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0356 0.2396 0.2341
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0157 0.0937 0.0871
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0264 0.0194
Schistosoma mansoni hypothetical protein 0.0139 0.0811 0.0744
Echinococcus granulosus transcription factor Dp 1 0.0045 0.0121 0.005
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.1864 0.3738
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.009 0.0447 0.0378
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0275 0.124
Schistosoma mansoni hypothetical protein 0.0168 0.1023 0.0958
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0124 0.0699 0.6091
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0124 0.0699 0.0632
Loa Loa (eye worm) nuclear hormone receptor 0.0157 0.0937 0.1556
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0275 0.124
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0802 0.0736
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0356 0.2396 0.2341
Schistosoma mansoni nuclear hormone receptor 0.0157 0.0937 0.0871
Brugia malayi orphan nuclear receptor NR2E1 0.0157 0.0937 0.1556
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0264 0.0391
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0157 0.0937 0.0871
Leishmania major phosphopantetheinyl transferase-like protein 0.0047 0.0139 0.0529
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0275 0.124
Loa Loa (eye worm) hypothetical protein 0.009 0.0447 0.0709
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0157 0.0937 0.1414
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Brugia malayi Pre-SET motif family protein 0.0625 0.4356 0.7475
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0356 0.2396 0.4083
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0157 0.0937 0.0871
Brugia malayi ecdysteroid receptor 0.0824 0.5815 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0436 0.298 0.5093
Echinococcus granulosus L aminoadipate semialdehyde 0.0169 0.1024 0.0959
Mycobacterium ulcerans aldehyde dehydrogenase 0.0182 0.1124 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0356 0.2396 0.4083
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0124 0.0699 0.0632
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0157 0.0937 0.0871
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.056 0.0492
Loa Loa (eye worm) hypothetical protein 0.0436 0.298 0.5093
Brugia malayi 6-phosphofructokinase 0.0105 0.056 0.0904
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0356 0.2396 0.4083
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0047 0.0139 0.3109
Schistosoma mansoni nuclear hormone receptor 0.0356 0.2396 0.2341
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.009 0.0447 0.0378
Trichomonas vaginalis CAMK family protein kinase 0.014 0.0818 0.164
Loa Loa (eye worm) pip kinase 2 0.0157 0.094 0.1561
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0264 0.0194
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0073 0.0184
Schistosoma mansoni steroid hormone receptor ad4bp 0.0356 0.2396 0.2341
Trypanosoma cruzi polo-like protein kinase, putative 0.0284 0.1864 0.9544
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.056 0.2728
Echinococcus granulosus chromobox protein 1 0.0144 0.0842 0.0776
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.1864 0.3738
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0284 0.1864 0.1805
Echinococcus granulosus ecdysone induced protein 78C 0.0356 0.2396 0.2341
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0087 0.0426 0.0515
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0275 0.124
Schistosoma mansoni hypothetical protein 0.0064 0.0264 0.0194
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0275 0.124
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.009 0.0447 0.3979
Loa Loa (eye worm) hypothetical protein 0.0169 0.1024 0.1707
Brugia malayi Nuclear hormone receptor-like 1 0.02 0.1252 0.2102
Brugia malayi hypothetical protein 0.0157 0.0937 0.1556
Trichomonas vaginalis chromobox protein, putative 0.0144 0.0842 0.1689
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.017 0.0099
Loa Loa (eye worm) hypothetical protein 0.0064 0.0264 0.0391
Loa Loa (eye worm) hypothetical protein 0.0081 0.0381 0.0594
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0356 0.2396 0.2341
Loa Loa (eye worm) DR-78 0.0157 0.0937 0.1556
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0814 0.4058
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0209 0.042
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0182 0.1124 0.5677
Mycobacterium ulcerans aldehyde dehydrogenase 0.0182 0.1124 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0356 0.2396 0.4083
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0157 0.094 0.0874
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0157 0.0937 0.0871
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0381 0.0764
Schistosoma mansoni chromobox protein 0.0144 0.0842 0.0776
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0381 0.0764
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0113 0.0619 0.0551
Loa Loa (eye worm) hypothetical protein 0.0204 0.1282 0.2153
Toxoplasma gondii hypothetical protein 0.0048 0.0141 0.1253
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0275 0.124
Entamoeba histolytica hypothetical protein 0.0038 0.0072 0.0384
Loa Loa (eye worm) hypothetical protein 0.02 0.1252 0.2102
Onchocerca volvulus Huntingtin homolog 0.0144 0.0847 0.1256
Schistosoma mansoni retinoic acid receptor RXR 0.0356 0.2396 0.2341
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0356 0.2396 0.4083
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0275 0.124
Echinococcus multilocularis GPCR, family 2 0.0064 0.0264 0.0194
Schistosoma mansoni kinase 0.0144 0.0845 0.0779
Loa Loa (eye worm) hypothetical protein 0.0089 0.0443 0.0702
Brugia malayi hypothetical protein 0.02 0.1252 0.2102
Schistosoma mansoni survival motor neuron protein 0.0047 0.0133 0.0062
Brugia malayi steroid hormone receptor 0.0793 0.5589 0.9609
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0436 0.298 0.2929
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0356 0.2396 0.2341
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0108 0.0585 0.0947
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.056 0.0492
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0169 0.1024 0.0959
Brugia malayi photoreceptor-specific nuclear receptor 0.0356 0.2396 0.4083
Schistosoma mansoni nuclear receptor 0.0157 0.0937 0.0871
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0275 0.124
Schistosoma mansoni aldehyde dehydrogenase 0.0182 0.1124 0.106
Echinococcus multilocularis FTZ F1 alpha 0.0436 0.298 0.2929
Onchocerca volvulus Serine\/threonine kinase homolog 0.0284 0.1864 0.3046
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0157 0.0937 0.0871
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 0.082 0.1354
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0211 0.0141
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0211 0.0141
Echinococcus multilocularis L aminoadipate semialdehyde 0.0169 0.1024 0.0959
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.056 0.2728
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0284 0.1864 0.3161
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0073 0.0391
Echinococcus granulosus Nuclear hormone receptor HR96 0.0157 0.0937 0.0871
Schistosoma mansoni nuclear receptor 0.0157 0.0937 0.0871
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0047 0.0139 1
Schistosoma mansoni hypothetical protein 0.0064 0.0264 0.0194
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0356 0.2396 0.4083
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.056 0.4632
Echinococcus granulosus Nuclear hormone receptor HR96 0.0157 0.0937 0.0871
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0275 0.124
Onchocerca volvulus 0.0157 0.094 0.142
Loa Loa (eye worm) hypothetical protein 0.0356 0.2396 0.4083
Brugia malayi Nuclear hormone receptor-like 1 0.02 0.1252 0.2102
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0124 0.0699 0.6091
Leishmania major cathepsin L-like protease 0.0066 0.0275 0.124
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0264 0.0194
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.093 0.815
Schistosoma mansoni thyroid hormone receptor 0.0356 0.2396 0.2341
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0157 0.0937 0.0871
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0047 0.0139 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.0811 0.1338
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0275 0.124
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.1951 1
Echinococcus granulosus FTZ F1 alpha 0.0733 0.5145 0.511
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0356 0.2396 0.4083
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0157 0.0937 0.1556
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0157 0.0937 0.1414
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0073 0.5248
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0047 0.0139 0.2484
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0356 0.2396 0.2341
Schistosoma mansoni coup transcription factor 0.0356 0.2396 0.2341
Brugia malayi nuclear receptor NHR-88 0.0356 0.2396 0.4083
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.0211 0.0141
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0124 0.0699 0.3458
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.1864 0.3738
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.1951 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0124 0.0699 0.596
Schistosoma mansoni serine/threonine protein kinase 0.0284 0.1864 0.1805
Schistosoma mansoni eyes absent homolog 0.0089 0.0443 0.0374
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0211 0.0141
Schistosoma mansoni chromobox protein 0.0144 0.0842 0.0776
Loa Loa (eye worm) hypothetical protein 0.0824 0.5815 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0157 0.0937 0.0871
Entamoeba histolytica hypothetical protein 0.0038 0.0072 0.0384
Brugia malayi hypothetical protein 0.0038 0.0072 0.0059
Schistosoma mansoni hypothetical protein 0.008 0.0376 0.0307
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0356 0.2396 0.4083
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0105 0.056 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0096 0.0305
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0356 0.2396 0.2341
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0047 0.0139 0.0932
Loa Loa (eye worm) hypothetical protein 0.02 0.1252 0.2102
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0078 0.0361 0.0559
Echinococcus granulosus GPCR family 2 0.0064 0.0264 0.0194
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0802 0.0736
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0356 0.2396 0.3983
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0169 0.1024 0.1707
Onchocerca volvulus 0.0052 0.017 0.0066
Schistosoma mansoni zinc finger protein 0.0157 0.0937 0.0871
Loa Loa (eye worm) nuclear receptor NHR-67 0.0157 0.0937 0.1556
Loa Loa (eye worm) hypothetical protein 0.0356 0.2396 0.4083
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0078 0.0361 0.1935
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0802 0.0736
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.056 0.3003
Loa Loa (eye worm) hypothetical protein 0.0157 0.094 0.1561
Loa Loa (eye worm) hypothetical protein 0.0052 0.017 0.023
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0073 0.0146
Brugia malayi hypothetical protein 0.015 0.089 0.1475
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0356 0.2396 0.2341
Trypanosoma brucei polo-like protein kinase 0.0284 0.1864 0.9544
Loa Loa (eye worm) cytochrome P450 family protein 0.0101 0.0528 0.0848
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0211 0.0141
Loa Loa (eye worm) hypothetical protein 0.0356 0.2396 0.4083
Loa Loa (eye worm) hypothetical protein 0.0176 0.1078 0.18
Brugia malayi latrophilin 2 splice variant baaae 0.0139 0.0811 0.1338
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.0802 0.1323
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0073 0.0391
Schistosoma mansoni nuclear receptor nhr-48 0.0157 0.0937 0.0871
Giardia lamblia Kinase, PLK 0.0284 0.1864 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.1951 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0078 0.0361 0.0291
Echinococcus multilocularis geminin 0.0168 0.1023 0.0958
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0073 0.1631
Trichomonas vaginalis set domain proteins, putative 0.0711 0.4986 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0356 0.2396 0.4083
Onchocerca volvulus Protein ultraspiracle homolog 0.0356 0.2396 0.3983
Echinococcus multilocularis nuclear receptor nhr 48 0.0157 0.0937 0.0871
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0047 0.0139 0.1237
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0073 0.0001
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Loa Loa (eye worm) hypothetical protein 0.0356 0.2396 0.4083
Echinococcus multilocularis chromobox protein 1 0.0144 0.0842 0.0776
Brugia malayi Pip kinase protein 2 0.0157 0.094 0.1561
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0356 0.2396 0.4083
Echinococcus multilocularis muscleblind protein 1 0.0176 0.1078 0.1013
Brugia malayi hypothetical protein 0.0157 0.0937 0.1556
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0356 0.2396 0.2341
Onchocerca volvulus Bile acid receptor homolog 0.0824 0.5815 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.0847 0.14
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0047 0.0139 0.0932
Trichomonas vaginalis chromobox protein, putative 0.0087 0.0426 0.0854
Brugia malayi nuclear hormone receptor 0.0157 0.0937 0.1556
Echinococcus granulosus thyroid hormone receptor alpha 0.0594 0.4129 0.4087
Brugia malayi chromobox protein homolog 3 0.0081 0.0381 0.0594
Brugia malayi 6-phosphofructokinase 0.0105 0.056 0.0904
Entamoeba histolytica hypothetical protein 0.0038 0.0072 0.0384
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0078 0.0361 0.1687
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.1864 0.3738
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0204 0.1282 0.2153
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.1864 0.3738
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0124 0.0699 0.1145
Onchocerca volvulus 0.0169 0.1024 0.1568
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0275 0.124
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.056 0.2728
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0275 0.124
Echinococcus multilocularis tumor protein p63 0.0353 0.2373 0.2318
Toxoplasma gondii exonuclease III APE 0.0038 0.0073 0.0649
Onchocerca volvulus Huntingtin homolog 0.0144 0.0847 0.1256
Brugia malayi Calcitonin receptor-like protein seb-1 0.0204 0.1282 0.2153
Loa Loa (eye worm) hypothetical protein 0.015 0.089 0.1475
Brugia malayi hypothetical protein 0.02 0.1252 0.2102
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0356 0.2396 0.4083
Brugia malayi Steroid receptor seven-up type 2 0.0356 0.2396 0.4083
Brugia malayi nuclear receptor RXR 0.02 0.1252 0.2102
Schistosoma mansoni aldehyde dehydrogenase 0.0182 0.1124 0.106
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0356 0.2396 0.4083
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.009 0.0447 0.0378
Leishmania major cathepsin L-like protease 0.0066 0.0275 0.124
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.1951 1
Onchocerca volvulus 0.0356 0.2396 0.3983
Echinococcus granulosus tumor protein p63 0.0353 0.2373 0.2318
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.056 0.1123
Mycobacterium ulcerans 6-phosphofructokinase 0.0105 0.056 0.4805
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.02 0.1252 0.2102
Schistosoma mansoni hypothetical protein 0.0047 0.0133 0.0062
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0157 0.0937 0.1556
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.056 0.0904
Brugia malayi nuclear hormone receptor family member nhr-6 0.0157 0.0937 0.1556
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0955 0.6768 0.6745
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0182 0.1124 0.106
Echinococcus granulosus nuclear receptor nhr 48 0.0157 0.0937 0.0871
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0078 0.0361 0.0291
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Brugia malayi jmjC domain containing protein 0.0057 0.0211 0.03
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0157 0.094 0.0874
Schistosoma mansoni thyroid hormone receptor 0.0356 0.2396 0.2341
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.1864 0.3738
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0133 0.0165
Brugia malayi ecdysone receptor 0.0157 0.0937 0.1556
Brugia malayi Nuclear hormone receptor-like 1 0.0356 0.2396 0.4083
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.0802 0.1323
Entamoeba histolytica hypothetical protein 0.0047 0.0139 0.0746
Schistosoma mansoni nuclear hormone receptor 0.0157 0.0937 0.0871
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0124 0.0699 0.0632
Loa Loa (eye worm) hypothetical protein 0.0144 0.0847 0.14
Brugia malayi hypothetical protein 0.0089 0.0443 0.0702
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0356 0.2396 0.4083
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.02 0.1252 0.1189
Brugia malayi Pre-SET motif family protein 0.009 0.0447 0.0709
Loa Loa (eye worm) hypothetical protein 0.0157 0.0937 0.1556
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0802 0.0736
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0204 0.1282 0.2153
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0356 0.2396 0.4083
Trypanosoma brucei hypothetical protein, conserved 0.0047 0.0139 0.0529
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0356 0.2396 0.2341
Brugia malayi jmjC domain containing protein 0.0057 0.0211 0.03
Brugia malayi phosphofructokinase 0.0105 0.056 0.0904
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0182 0.1124 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0436 0.298 0.5093
Brugia malayi tailless protein 0.0157 0.0937 0.1556
Brugia malayi Cytochrome P450 family protein 0.0101 0.0528 0.0848
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0073 0.0146
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0047 0.0139 0.0629
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0356 0.2396 0.4083
Mycobacterium ulcerans aldehyde dehydrogenase 0.0182 0.1124 1
Brugia malayi hypothetical protein 0.0228 0.1461 0.2464
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.02 0.1252 0.1189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0275 0.124
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.056 0.3003
Brugia malayi Nuclear hormone receptor E75 0.0157 0.0937 0.1556
Brugia malayi MH2 domain containing protein 0.0141 0.082 0.1354
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.0814 0.4058
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.056 0.1123
Echinococcus granulosus muscleblind protein 0.0176 0.1078 0.1013
Loa Loa (eye worm) phosphofructokinase 0.0105 0.056 0.0904
Toxoplasma gondii aldehyde dehydrogenase 0.0182 0.1124 1
Brugia malayi conserved hypotetical protein 0.0157 0.0937 0.1556
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.1461 0.14
Trichomonas vaginalis chromobox protein, putative 0.0087 0.0426 0.0854
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0081 0.0381 0.0436
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0814 0.4058
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0436 0.298 0.2929
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0211 0.0141
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0096 0.0305
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0157 0.0937 0.0871
Echinococcus multilocularis microtubule associated protein 2 0.1397 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0802 0.0736
Loa Loa (eye worm) hypothetical protein 0.02 0.1252 0.2102
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0078 0.0361 0.0291
Loa Loa (eye worm) transcription factor SMAD2 0.0141 0.082 0.1354

Activities

Activity type Activity value Assay description Source Reference
Inhibition frequency index (IFI) (functional) = 6.99 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 4 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 62 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 73 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 96 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.03 XC50 determination of P. falciparum 3D7 growth GSK. 20485427

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

1 literature reference was collected for this gene.

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