Detailed information for compound 594651

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 512.474 | Formula: C27H31Cl2N5O
  • H donors: 2 H acceptors: 2 LogP: 4.88 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N1CCC(CC1)CN1CCC(CC1)c1c[nH]c2c1nc(N)cc2)/C=C/c1ccc(c(c1)Cl)Cl
  • InChi: 1S/C27H31Cl2N5O/c28-22-3-1-18(15-23(22)29)2-6-26(35)34-13-7-19(8-14-34)17-33-11-9-20(10-12-33)21-16-31-24-4-5-25(30)32-27(21)24/h1-6,15-16,19-20,31H,7-14,17H2,(H2,30,32)/b6-2+
  • InChiKey: BSTXWLWHVCACKB-QHHAFSJGSA-N  

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
Trypanosoma brucei proteasome subunit beta type-5, putative 0.008 0.0318 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0038 0.0012 0.0012
Trypanosoma cruzi aminopeptidase, putative 0.0074 0.0274 0.8624
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0222 0.0498
Onchocerca volvulus 0.01 0.0469 0.0946
Echinococcus multilocularis proteasome (prosome, macropain) 0.008 0.0318 0.0318
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0089 0.0388 0.0388
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0057 0.0151 0.0151
Giardia lamblia Proteasome subunit beta type 1 0.0062 0.0186 0.0444
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0388 0.0388
Loa Loa (eye worm) TATA binding protein associated factor 0.0074 0.0274 0.0274
Onchocerca volvulus 0.0709 0.4963 1
Echinococcus multilocularis phd:f box containing protein 0.0057 0.0151 0.0151
Leishmania major hypothetical protein, conserved 0.0057 0.0151 0.4758
Trypanosoma brucei proteasome beta 6 subunit 0.0062 0.0186 0.5863
Trypanosoma brucei Aminopeptidase M1, putative 0.0074 0.0274 0.8624
Loa Loa (eye worm) hypothetical protein 0.0098 0.045 0.045
Brugia malayi PHD-finger family protein 0.0058 0.0157 0.0352
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0074 0.0274 0.8624
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0038 0.0012 0.0024
Brugia malayi Peptidase family M1 containing protein 0.0074 0.0274 0.0616
Trypanosoma cruzi 20S proteasome subunit 0.0038 0.0012 0.0382
Schistosoma mansoni phd/f-box containing protein 0.0057 0.0151 0.0151
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.0225 0.0225
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0057 0.0151 0.4758
Brugia malayi jmjC domain containing protein 0.0057 0.0151 0.034
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0086 0.0364 0.0364
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0074 0.0274 0.0274
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.01 0.0469 0.0469
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0388 0.0388
Schistosoma mansoni phosphatidylserine receptor 0.0057 0.0151 0.0151
Echinococcus granulosus chromobox protein 1 0.0067 0.0225 0.0225
Plasmodium falciparum phd finger protein, putative 0.0177 0.1038 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.057 0.3938 0.7935
Schistosoma mansoni hypothetical protein 0.0189 0.1123 0.1123
Plasmodium vivax proteasome subunit beta type-1, putative 0.0062 0.0186 0.1794
Entamoeba histolytica aminopeptidase, putative 0.0074 0.0274 0.0667
Schistosoma mansoni chromobox protein 0.0067 0.0225 0.0225
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.057 0.3938 0.7935
Plasmodium vivax JmjC domain containing protein 0.0057 0.0151 0.1456
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0279 0.1785 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0074 0.0274 0.0274
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0058 0.0157 0.1407
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0121 0.0121
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0151 0.0151
Loa Loa (eye worm) jmjC domain-containing protein 0.0215 0.1314 0.1314
Toxoplasma gondii aminopeptidase N protein 0.0074 0.0274 0.2639
Echinococcus multilocularis muscleblind protein 1 0.0154 0.0864 0.0864
Loa Loa (eye worm) proteasome subunit beta type 2 0.0038 0.0012 0.0012
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0074 0.0274 0.0552
Echinococcus granulosus phd:f box containing protein 0.0057 0.0151 0.0151
Brugia malayi F/Y-rich N-terminus family protein 0.0061 0.0181 0.0406
Treponema pallidum fructose-bisphosphate aldolase 0.057 0.3938 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0244 0.1527 0.1527
Schistosoma mansoni chromobox protein 0.0067 0.0225 0.0225
Echinococcus multilocularis chromobox protein 1 0.0067 0.0225 0.0225
Echinococcus granulosus peregrin 0.0177 0.1038 0.1038
Onchocerca volvulus 0.0074 0.0274 0.0552
Loa Loa (eye worm) hypothetical protein 0.0304 0.1974 0.1974
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.057 0.3938 0.7935
Brugia malayi chromobox protein homolog 3 0.0038 0.0007 0.0016
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0074 0.0274 0.0274
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0062 0.0186 0.5863
Brugia malayi Pre-SET motif family protein 0.0089 0.0388 0.0872
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0057 0.0151 0.4758
Schistosoma mansoni hypothetical protein 0.0067 0.0222 0.0222
Plasmodium vivax hypothetical protein, conserved 0.0177 0.1038 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.008 0.0318 0.1781
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0007 0.0014
Loa Loa (eye worm) hypothetical protein 0.0057 0.0151 0.0151
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.057 0.3938 1
Brugia malayi jmjC domain containing protein 0.0057 0.0151 0.034
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0057 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0067 0.0222 0.0222
Echinococcus multilocularis geminin 0.0189 0.1123 0.1123
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0074 0.0274 0.0274
Brugia malayi hypothetical protein 0.0244 0.1527 0.343
Brugia malayi proteasome subunit beta type 1 0.0062 0.0186 0.0419
Schistosoma mansoni survival motor neuron protein 0.005 0.0095 0.0095
Echinococcus granulosus jumonji domain containing protein 0.0247 0.1551 0.1551
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0181 0.0181
Brugia malayi Proteasome A-type and B-type family protein 0.008 0.0318 0.0714
Leishmania major proteasome beta 5 subunit, putative 0.008 0.0318 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0074 0.0274 0.0274
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0074 0.0274 0.0274
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0074 0.0274 0.8624
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0057 0.0151 0.1456
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0062 0.0186 0.1697
Brugia malayi jmjC domain containing protein 0.0057 0.0151 0.034
Schistosoma mansoni jumonji domain containing protein 0.0462 0.3137 0.3137
Plasmodium vivax hypothetical protein, conserved 0.0058 0.0157 0.1508
Echinococcus granulosus JmjC domain containing protein 4 0.0057 0.0151 0.0151
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0225 0.0454
Brugia malayi jmjC domain containing protein 0.0215 0.1314 0.2952
Loa Loa (eye worm) hypothetical protein 0.0057 0.0151 0.0151
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0154 0.0864 0.0864
Loa Loa (eye worm) hypothetical protein 0.0154 0.0864 0.0864
Brugia malayi hypothetical protein 0.064 0.4451 1
Echinococcus granulosus aminopeptidase N 0.0074 0.0274 0.0274
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0074 0.0274 0.2552
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0074 0.0274 0.0274
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0062 0.0186 0.0444
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.057 0.3938 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0038 0.0012 0.0012
Brugia malayi jmjC domain containing protein 0.0057 0.0151 0.034
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.0629 0.0629
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0007 0.0014
Brugia malayi Dopamine receptor protein 1 0.0435 0.2938 0.6601
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.008 0.0318 0.0779
Trypanosoma cruzi aminopeptidase, putative 0.0074 0.0274 0.8624
Brugia malayi Muscleblind-like protein 0.0154 0.0864 0.1942
Loa Loa (eye worm) proteasome subunit beta type 1 0.0062 0.0186 0.0186
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.0157 0.1508
Echinococcus granulosus muscleblind protein 0.0154 0.0864 0.0864
Trichomonas vaginalis set domain proteins, putative 0.0709 0.4963 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.057 0.3938 0.7935
Echinococcus granulosus geminin 0.0189 0.1123 0.1123
Schistosoma mansoni aminopeptidase A (M01 family) 0.0074 0.0274 0.0274
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0057 0.0151 0.0151
Mycobacterium ulcerans proteasome PrcB 0.008 0.0318 0.1781
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0038 0.0012 0.0012
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0074 0.0274 0.2639
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0062 0.0186 0.0186
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.057 0.3938 0.7935
Loa Loa (eye worm) leukotriene A4 hydrolase 0.1391 1 1
Schistosoma mansoni protein phosphatase 2C 0.0057 0.0151 0.0151
Echinococcus multilocularis jumonji domain containing protein 0.0247 0.1551 0.1551
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.057 0.3938 0.7935
Plasmodium falciparum proteasome subunit beta type-5 0.008 0.0318 0.2979
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0623 0.4327 0.4327
Brugia malayi AF-10 protein 0.0058 0.0157 0.0352
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0225 0.0454
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.0629 0.0629
Schistosoma mansoni hypothetical protein 0.0058 0.0157 0.0157
Brugia malayi hypothetical protein 0.0074 0.0274 0.0616
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0074 0.0274 0.0274
Echinococcus granulosus lysine specific demethylase 5A 0.0215 0.1314 0.1314
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.015 0.0838
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.015 0.0838
Plasmodium vivax proteasome subunit beta type-5, putative 0.008 0.0318 0.3061
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.045 0.045
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0074 0.0274 0.8624
Onchocerca volvulus 0.0074 0.0274 0.0552
Brugia malayi Peptidase family M1 containing protein 0.0074 0.0274 0.0616
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0038 0.0012 0.0382
Echinococcus multilocularis peregrin 0.0177 0.1038 0.1038
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.015 0.0336
Loa Loa (eye worm) aminopeptidase N 0.0074 0.0274 0.0274
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0028 0.0057
Schistosoma mansoni jumonji/arid domain-containing protein 0.0215 0.1314 0.1314
Loa Loa (eye worm) jmjC domain-containing protein 0.0366 0.2433 0.2433
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0028 0.0057
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.057 0.3938 0.7935
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.057 0.3938 0.7935
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0279 0.1785 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0074 0.0274 0.8624
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0581 0.4019 0.4019
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0062 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0074 0.0274 0.0274
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0074 0.0274 0.8624
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0074 0.0274 0.0274
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.015 0.0838
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0089 0.0388 0.3737
Echinococcus granulosus histone lysine methyltransferase setb 0.0089 0.0388 0.0388
Toxoplasma gondii aminopeptidase N, putative 0.0074 0.0274 0.2639
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0074 0.0274 0.0274
Echinococcus granulosus jumonji domain containing 1A 0.0057 0.0151 0.0151
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0074 0.0274 0.0274
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0058 0.0157 0.4926
Loa Loa (eye worm) hypothetical protein 0.0058 0.0157 0.0157
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0062 0.0186 0.1794
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0074 0.0274 0.2639
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0388 0.0388
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0057 0.0151 0.4758
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0058 0.0157 0.4926
Giardia lamblia Fructose-bisphosphate aldolase 0.057 0.3938 1
Plasmodium falciparum JmjC domain-containing protein, putative 0.0057 0.0151 0.1355
Echinococcus granulosus survival motor neuron protein 1 0.0244 0.1527 0.1527
Toxoplasma gondii proteasome subunit beta type, putative 0.008 0.0318 0.3061
Loa Loa (eye worm) hypothetical protein 0.0177 0.1038 0.1038
Brugia malayi hypothetical protein 0.0074 0.0274 0.0616
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0074 0.0274 0.0552
Brugia malayi jmjC domain containing protein 0.0581 0.4019 0.903
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.008 0.0318 0.064
Brugia malayi Peptidase family M1 containing protein 0.0074 0.0274 0.0616
Loa Loa (eye worm) hypothetical protein 0.0435 0.2938 0.2938
Mycobacterium ulcerans aminopeptidase N PepN 0.0074 0.0274 0.1536
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0581 0.4019 0.4019
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0151 0.0151
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.015 0.4707
Loa Loa (eye worm) PHD-finger family protein 0.0177 0.1038 0.1038
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0074 0.0274 0.0552
Schistosoma mansoni jumonji/arid domain-containing protein 0.0215 0.1314 0.1314
Loa Loa (eye worm) peptidase family M1 containing protein 0.0074 0.0274 0.0274
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0074 0.0274 0.0274
Onchocerca volvulus Alhambra homolog 0.0177 0.1038 0.2092
Echinococcus multilocularis JmjC domain containing protein 4 0.0057 0.0151 0.0151
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0074 0.0274 0.8624
Echinococcus multilocularis PHD finger protein rhinoceros 0.0177 0.1038 0.1038
Toxoplasma gondii PHD-finger domain-containing protein 0.0177 0.1038 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.1464 0.8202
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0062 0.0186 0.0186
Mycobacterium ulcerans aminopeptidase N PepN 0.0074 0.0274 0.1536
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0038 0.0012 0.0117
Trypanosoma brucei aminopeptidase, putative 0.0074 0.0274 0.8624
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0074 0.0274 0.0274
Echinococcus multilocularis lysine specific demethylase 5A 0.0215 0.1314 0.1314
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.045 0.1012
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0062 0.0186 0.5863
Echinococcus multilocularis jumonji domain containing 1A 0.0057 0.0151 0.0151
Brugia malayi MH2 domain containing protein 0.0122 0.0629 0.1413
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0279 0.1785 1
Onchocerca volvulus 0.005 0.0095 0.0192
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.015 0.015
Schistosoma mansoni hypothetical protein 0.0177 0.1038 0.1038
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0095 0.0214
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0062 0.0186 0.5863
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0074 0.0274 0.2552
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0089 0.0388 0.0388
Brugia malayi Bromodomain containing protein 0.0177 0.1038 0.2333
Plasmodium vivax SET domain protein, putative 0.0089 0.0388 0.3737
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0057 0.0151 0.1456
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0007 0.0014
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0151 0.0151
Echinococcus multilocularis chromobox protein 1 0.0067 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0244 0.1527 0.1527
Echinococcus multilocularis muscleblind protein 0.0154 0.0864 0.0864
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.008 0.0318 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0038 0.0012 0.0024
Echinococcus granulosus chromobox protein 1 0.0067 0.0225 0.0225
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.008 0.0318 0.0318
Trypanosoma cruzi Aminopeptidase M1, putative 0.0074 0.0274 0.8624
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0074 0.0274 0.0274
Trypanosoma brucei Aminopeptidase M1, putative 0.0074 0.0274 0.8624
Echinococcus granulosus PHD finger protein rhinoceros 0.0177 0.1038 0.1038
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0074 0.0274 0.8624
Echinococcus multilocularis leukotriene A 4 hydrolase 0.1391 1 1
Schistosoma mansoni hypothetical protein 0.005 0.0095 0.0095
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.008 0.0318 0.1781
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0038 0.0012 0.0012
Brugia malayi PHD-finger family protein 0.0177 0.1038 0.2333
Toxoplasma gondii PHD-finger domain-containing protein 0.0177 0.1038 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0274 0.0274
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0062 0.0186 0.0375
Toxoplasma gondii aminopeptidase n, putative 0.0074 0.0274 0.2639
Plasmodium vivax proteasome subunit beta type-2, putative 0.0038 0.0012 0.0117
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0074 0.0274 0.8624
Giardia lamblia PHD finger protein 15 0.0177 0.1038 0.2614
Brugia malayi Heterochromatin protein 1 0.0067 0.0225 0.0506
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0074 0.0274 0.8624
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0038 0.0012 0.0382
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0177 0.1038 0.1038
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0074 0.0274 0.0274
Schistosoma mansoni hypothetical protein 0.0189 0.1123 0.1123
Giardia lamblia Proteasome subunit beta type 5 precursor 0.008 0.0318 0.0779
Leishmania major proteasome beta 2 subunit, putative 0.0038 0.0012 0.0382
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.1391 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.008 0.0318 1
Echinococcus granulosus proteasome prosome macropain 0.008 0.0318 0.0318
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.015 0.015
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.015 0.015
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.045 0.1012
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.008 0.0318 0.0318
Brugia malayi TATA binding protein associated factor 0.0074 0.0274 0.0616
Onchocerca volvulus 0.0074 0.0274 0.0552
Echinococcus multilocularis aminopeptidase N 0.0074 0.0274 0.0274
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0074 0.0274 0.0274
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0058 0.0157 0.1508
Brugia malayi Pre-SET motif family protein 0.0623 0.4327 0.9723
Echinococcus multilocularis lysine specific demethylase 6a 0.0057 0.0151 0.0151
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0028 0.0057
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0074 0.0274 0.8624
Brugia malayi proteasome subunit beta type 2 0.0038 0.0012 0.0027
Loa Loa (eye worm) hypothetical protein 0.0089 0.0388 0.0388
Echinococcus granulosus lysine specific demethylase 6a 0.0057 0.0151 0.0151

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -0.49 % 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) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 1.93 % 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) = 2.32 % 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) = 53 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 97 % 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 frequency index (IFI) (functional) = 6.62 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -2 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 53 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 97 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 99 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.15 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.70149 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

1 literature reference was collected for this gene.

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