Detailed information for compound 595242

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 468.588 | Formula: C26H36N4O4
  • H donors: 3 H acceptors: 5 LogP: 4.5 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CN([C@H]([C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)Nc1cccnc1)CCCCc1ccccc1)C)O
  • InChi: 1S/C26H36N4O4/c1-19(30(34)18-31)22(15-9-8-13-20-11-6-5-7-12-20)24(32)29-23(26(2,3)4)25(33)28-21-14-10-16-27-17-21/h5-7,10-12,14,16-19,22-23,34H,8-9,13,15H2,1-4H3,(H,28,33)(H,29,32)/t19-,22+,23+/m0/s1
  • InChiKey: KFULGTLHROQOPP-WWPVKYPJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.0643 0.0643
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0073 0.2483
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0079 0.0217
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0023
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0073 0.0202
Echinococcus multilocularis dna polymerase eta 0.002 0.0073 0.0073
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0184 0.1013
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0099 0.0273
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0379 0.1047
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0079 0.0079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0269 0.0269
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0024 0.0068
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0099 0.3358
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0062 0.2105
Loa Loa (eye worm) hypothetical protein 0.0242 0.1682 0.4643
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0029 0.0971
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0269 0.0744
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.1198 0.7496
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0099 0.3358
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0269 0.0269
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0132 0.0363
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0099 0.3358
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0008 0.0023
Schistosoma mansoni tar DNA-binding protein 0.0511 0.3623 0.3623
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0062 0.0062
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0013 0.0449
Loa Loa (eye worm) RNA binding protein 0.0511 0.3623 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0131 0.0362
Loa Loa (eye worm) hypothetical protein 0.003 0.0148 0.0407
Toxoplasma gondii PHD-finger domain-containing protein 0.001 0.0001 0.0028
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0079 0.0079
Entamoeba histolytica hypothetical protein 0.0072 0.0451 0.2573
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0079 0.0217
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0073 0.4818
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0073 0.0073
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0099 0.0273
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0073 0.3981
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0184 0.1013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.005 0.0294 0.0812
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0099 0.0449
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0184 0.1013
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0148 0.461
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0079 0.0217
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0023
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.1397 0.3855
Echinococcus multilocularis lamin 0.0028 0.0131 0.0131
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0294 1
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0233 0.0233
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0073 0.4818
Trypanosoma brucei glucosidase, putative 0.0035 0.0184 0.6252
Leishmania major DNA polymerase eta, putative 0.002 0.0073 0.2483
Schistosoma mansoni alpha-glucosidase 0.0136 0.0915 0.0915
Giardia lamblia PHD finger protein 15 0.003 0.0148 1
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.007 0.0194
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.0217
Brugia malayi jmjC domain containing protein 0.0099 0.0643 0.1774
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0073 0.2483
Schistosoma mansoni cpg binding protein 0.0029 0.0143 0.0143
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0184 0.0962
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0079 0.0217
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0079 0.0079
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0073 0.2483
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0073 0.2483
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0131 0.0362
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0024 0.0829
Echinococcus multilocularis geminin 0.0512 0.3635 0.3635
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0079 0.0217
Schistosoma mansoni cpg binding protein 0.0029 0.0143 0.0143
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0079 0.0079
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0029 0.0971
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0079 0.0079
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0294 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0184 0.0184
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0079 0.0079
Brugia malayi N-terminal motif family protein 0.0175 0.1198 0.3308
Toxoplasma gondii exonuclease III APE 0.0018 0.0062 0.1935
Brugia malayi steroid hormone receptor 0.0021 0.0079 0.0217
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0184 0.1013
Schistosoma mansoni tar DNA-binding protein 0.0511 0.3623 0.3623
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1075 0.1075
Brugia malayi RNA recognition motif domain containing protein 0.0511 0.3623 1
Brugia malayi nuclear hormone receptor 0.0021 0.0079 0.0217
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0099 1
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0451 0.0451
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0073 0.2483
Loa Loa (eye worm) hypothetical protein 0.0013 0.0027 0.0075
Brugia malayi nuclear receptor NHR-88 0.0021 0.0079 0.0217
Schistosoma mansoni DNA polymerase eta 0.002 0.0073 0.0073
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0073 0.2483
Brugia malayi jmjC domain containing protein 0.0038 0.0205 0.0565
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0062 0.2105
Brugia malayi hypothetical protein 0.0011 0.0008 0.0023
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0099 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0062 0.2105
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0079 0.0217
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0073 0.2483
Echinococcus granulosus dna polymerase eta 0.002 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.0013 0.0024 0.0068
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0184 0.1013
Leishmania major hypothetical protein, conserved 0.005 0.0294 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.1075 0.2966
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0012 0.0013 0.0449
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0294 1
Schistosoma mansoni jumonji domain containing protein 0.0078 0.0496 0.0496
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0269 0.0269
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0073 0.2483
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0233 0.0233
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0056 0.1905
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0000030383 0.0000030383
Brugia malayi Pre-SET motif family protein 0.003 0.0144 0.0398
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0269 0.0269
Echinococcus granulosus tar DNA binding protein 0.0511 0.3623 0.3623
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0099 0.0273
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0079 0.0217
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0073 0.2483
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0099 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0073 0.0073
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0011 0.0012 0.0012
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.001 0.0001 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0079 0.0217
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0062 0.0226
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0073 0.0073
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0008 0.0023
Echinococcus multilocularis peregrin 0.003 0.0148 0.0148
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0093 0.0093
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0269 0.0269
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0073 0.2483
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.1075 0.2966
Loa Loa (eye worm) hypothetical protein 0.0052 0.0303 0.0836
Schistosoma mansoni tar DNA-binding protein 0.0511 0.3623 0.3623
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0451 0.0451
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0029 0.0971
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0027 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0079 0.0217
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0148 0.0407
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0144 0.0144
Brugia malayi PHD-finger family protein 0.0011 0.0013 0.0035
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0073 0.0309
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0038 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0079 0.0217
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0008 0.0008
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0079 0.0079
Brugia malayi ecdysteroid receptor 0.0021 0.0079 0.0217
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.0217
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0062 0.0171
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0148 0.461
Onchocerca volvulus 0.0021 0.0079 0.0491
Trypanosoma brucei unspecified product 0.002 0.0073 0.2483
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0079 0.0217
Schistosoma mansoni cpg binding protein 0.0028 0.0132 0.0132
Echinococcus granulosus dnaJ subfamily B 0.0397 0.2804 0.2804
Schistosoma mansoni ap endonuclease 0.0018 0.0062 0.0062
Trypanosoma brucei unspecified product 0.0014 0.0029 0.0971
Schistosoma mansoni alpha-glucosidase 0.0136 0.0915 0.0915
Echinococcus multilocularis dna polymerase kappa 0.002 0.0073 0.0073
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0073 0.2483
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0023
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.0217
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0079 0.0079
Schistosoma mansoni lamin 0.0028 0.0131 0.0131
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0205 0.0205
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0079 0.0217
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0144 0.0144
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0056 0.139
Echinococcus granulosus dna polymerase kappa 0.002 0.0073 0.0073
Entamoeba histolytica hypothetical protein 0.0072 0.0451 0.2573
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0155
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0073 0.0073
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0073 0.2483
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0079 0.0079
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0144 0.0144
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0079 0.0079
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0073 0.2483
Echinococcus multilocularis microtubule associated protein 2 0.1392 1 1
Echinococcus multilocularis dnaJ subfamily B 0.0397 0.2804 0.2804
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0062 0.0062
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0184 0.0508
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0099 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0079 0.0217
Echinococcus granulosus lamin 0.0028 0.0131 0.0131
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0294 0.9193
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0079 0.0079
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0079 0.0079
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0205 0.0205
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0131 0.0362
Loa Loa (eye worm) hypothetical protein 0.002 0.0073 0.0202
Onchocerca volvulus 0.0028 0.0131 0.0821
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.082 0.2264
Loa Loa (eye worm) hypothetical protein 0.0023 0.0099 0.0273
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.0217
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0184 0.0184
Schistosoma mansoni ap endonuclease 0.0018 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0155
Brugia malayi Pre-SET motif family protein 0.0203 0.1397 0.3855
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0073 0.2483
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0079 0.0079
Trypanosoma brucei glycosyl hydrolase-like protein 0.0013 0.0024 0.0829
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0099 1
Entamoeba histolytica hypothetical protein 0.0072 0.0451 0.2573
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.0217
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0062 0.2105
Brugia malayi AF-10 protein 0.001 0.0001 0.0003
Brugia malayi hypothetical protein 0.0072 0.0451 0.1245
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0079 0.0217
Loa Loa (eye worm) hypothetical protein 0.0027 0.0128 0.0352
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0073 0.2483
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0294 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1075 0.1075
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0079 0.0079
Schistosoma mansoni tar DNA-binding protein 0.0511 0.3623 0.3623
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0132 0.0132
Plasmodium vivax SET domain protein, putative 0.003 0.0144 0.4895
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0062 0.2105
Brugia malayi hypothetical protein 0.005 0.0294 0.0812
Leishmania major glycosyl hydrolase-like protein 0.0013 0.0024 0.0829
Onchocerca volvulus 0.0028 0.0131 0.0821
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0155
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0073 0.2483
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.1075 0.1075
Giardia lamblia DINP protein human, muc B family 0.002 0.0073 0.1298
Plasmodium falciparum phd finger protein, putative 0.003 0.0148 0.5015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0269 0.0269
Schistosoma mansoni lamin 0.0028 0.0131 0.0131
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0011 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0512 0.3635 0.3635
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0023 0.0099 0.0273
Echinococcus granulosus intermediate filament protein 0.0028 0.0131 0.0131
Loa Loa (eye worm) hypothetical protein 0.0023 0.0099 0.0273
Brugia malayi nuclear receptor RXR 0.0011 0.0008 0.0023
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0079 0.0079
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0079 0.0079
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0073 0.0202
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0038 0.0104
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0073 0.2483
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0008 0.0008
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0013 0.0024 0.0153
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0079 0.0217
Echinococcus multilocularis cpg binding protein 0.0029 0.0143 0.0143
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0073 0.2483
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0242 0.1682 1
Schistosoma mansoni hypothetical protein 0.0072 0.0451 0.0451
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0062 0.2579
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0062 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0205 0.0205
Entamoeba histolytica hypothetical protein 0.0072 0.0451 0.2573
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0144 0.0144
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.082 0.2264
Onchocerca volvulus Alhambra homolog 0.003 0.0148 0.0923
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0184 0.1013
Mycobacterium ulcerans hypothetical protein 0.0023 0.0099 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0079 0.0217
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.0643 0.0643
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0099 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0079 0.0079
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0079 0.0079
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0184 0.6252
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0144 0.0144
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0062 0.0238
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0148 0.0148
Brugia malayi hypothetical protein 0.0011 0.0008 0.0023
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0144 0.45
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0193 0.0193
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0079 0.0491
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0056 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0079 0.0079
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0079 0.0079
Onchocerca volvulus 0.0231 0.1599 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0079 0.0079
Echinococcus granulosus peregrin 0.003 0.0148 0.0148
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0269 0.0744
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0099 1
Trichomonas vaginalis set domain proteins, putative 0.0231 0.1599 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0451 0.0451
Brugia malayi Bromodomain containing protein 0.003 0.0148 0.0407
Brugia malayi MH2 domain containing protein 0.0123 0.082 0.2264
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0093 0.0093
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0099 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0131 0.0362
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0008 0.0008
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0079 0.0079
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0144 0.0144
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0184 0.1013
Schistosoma mansoni tar DNA-binding protein 0.0511 0.3623 0.3623
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0269 0.0269
Echinococcus granulosus cpg binding protein 0.0029 0.0143 0.0143
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0079 0.0491
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0079 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0079 0.0217
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0059 0.0059
Echinococcus multilocularis tar DNA binding protein 0.0511 0.3623 0.3623
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0023
Trypanosoma brucei unspecified product 0.0014 0.0029 0.0971
Brugia malayi RNA binding protein 0.0511 0.3623 1
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0294 1
Schistosoma mansoni hypothetical protein 0.0023 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.0217
Onchocerca volvulus 0.003 0.0144 0.0901
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0099 0.0449
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0144 0.0144
Schistosoma mansoni intermediate filament proteins 0.0028 0.0131 0.0131
Brugia malayi hypothetical protein 0.0033 0.0165 0.0455
Brugia malayi PHD-finger family protein 0.003 0.0148 0.0407
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0024 0.0829
Brugia malayi CXXC zinc finger family protein 0.0028 0.0132 0.0363
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0062 0.0238
Leishmania major DNA polymerase kappa, putative 0.002 0.0073 0.2483
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.032 1
Echinococcus multilocularis lamin dm0 0.0028 0.0131 0.0131
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0079 0.0217
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0000030383 0.0000030383
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0062 0.0171
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.001 0.0001 0.003
Echinococcus granulosus lamin dm0 0.0028 0.0131 0.0131
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0184 0.6252
Loa Loa (eye worm) hypothetical protein 0.0175 0.1198 0.3308
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0079 0.0217
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0079 0.0491
Schistosoma mansoni hypothetical protein 0.001 0.0001 0.0001
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0073 0.2483
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0099 0.5
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0073 0.3981
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0062 0.1382
Onchocerca volvulus 0.0028 0.0132 0.0824
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0065
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0079 0.0217
Loa Loa (eye worm) histone methyltransferase 0.001 0.0000030383 0.0000083866
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0073 0.0293
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0205 0.0565
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0079 0.0217
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0062 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0062 0.2105
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0079 0.0079
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0073 0.2483
Onchocerca volvulus 0.0092 0.0592 0.3703
Echinococcus granulosus geminin 0.0512 0.3635 0.3635
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0099 0.0449
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0079 0.0217
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0148 0.0148
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0099 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0073 0.0309
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0366 0.0366
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0184 0.1013
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0155
Schistosoma mansoni alpha glucosidase 0.0035 0.0184 0.0184
Loa Loa (eye worm) TAR-binding protein 0.0511 0.3623 1
Brugia malayi TAR-binding protein 0.0511 0.3623 1
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0056 0.1905
Schistosoma mansoni coup transcription factor 0.0021 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.003 0.0144 0.0398
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0294 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0155
Plasmodium vivax hypothetical protein, conserved 0.003 0.0148 0.5015
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.001 0.0001 0.003
Schistosoma mansoni hypothetical protein 0.003 0.0148 0.0148
Schistosoma mansoni hypothetical protein 0.0512 0.3635 0.3635
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0184 0.5747
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0079 0.0217
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0184 0.0508
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0023
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0099 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0079 0.0079
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0148 0.0148
Echinococcus multilocularis musashi 0.0028 0.0131 0.0131
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0079 0.0079
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0079 0.0079
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0184 0.0962
Schistosoma mansoni microtubule-associated protein tau 0.1392 1 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0184 0.1013
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0184 0.6252
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0397 0.2804 0.2804
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0073 0.0202
Onchocerca volvulus 0.0023 0.0099 0.0618
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.0035
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0511 0.3623 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0079 0.0079
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0242 0.1682 1
Brugia malayi intermediate filament protein 0.0028 0.0131 0.0362
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0008 0.0023
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.0217
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.0217
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0079 0.0217

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -1.56 % 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) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 0 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 0.14 % 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) = 2.12 % 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) = 98 % 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) = 98 % 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 frequency index (IFI) (functional) = 2.22 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 0 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 0 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 98 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 98 % 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
XC50 (functional) = 0.9293 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.