Detailed information for compound 1676203

Basic information

Technical information
  • TDR Targets ID: 1676203
  • Name: N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[2- (2,3-difluorophenyl)ethyl]-4-oxoquinolin-1-yl ]-N-(1-ethylpiperidin-4-yl)acetamide; 2,3-dih ydroxybutanedioic acid
  • MW: 804.275 | Formula: C43H44ClF2N3O8
  • H donors: 4 H acceptors: 8 LogP: 4.19 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(C(C(=O)O)O)C(=O)O.CCN1CCC(CC1)N(C(=O)Cn1c(CCc2cccc(c2F)F)cc(=O)c2c1cccc2)Cc1ccc(cc1)c1ccc(cc1)Cl
  • InChi: 1S/C39H38ClF2N3O2.C4H6O6/c1-2-43-22-20-32(21-23-43)45(25-27-10-12-28(13-11-27)29-14-17-31(40)18-15-29)38(47)26-44-33(19-16-30-6-5-8-35(41)39(30)42)24-37(46)34-7-3-4-9-36(34)44;5-1(3(7)8)2(6)4(9)10/h3-15,17-18,24,32H,2,16,19-23,25-26H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
  • InChiKey: OCAWQSNFKPWILJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1-quinolyl]-N-(1-ethyl-4-piperidyl)acetamide; 2,3-dihydroxybutanedioic acid
  • N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1-quinolyl]-N-(1-ethyl-4-piperidinyl)acetamide; 2,3-dihydroxybutanedioic acid
  • N-[4-(4-chlorophenyl)benzyl]-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-keto-1-quinolyl]-N-(1-ethyl-4-piperidyl)acetamide; tartaric acid
  • N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-quinolin-1-yl]-N-(1-ethylpiperidin-4-yl)ethanamide; 2,3-dihydroxybutanedioic acid

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

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 5.52 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 7.94 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 9.18 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 95 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 99 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 100 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
XC50 (functional) = 0.70327 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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