Detailed information for compound 596086

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 461.439 | Formula: C25H18F3N5O
  • H donors: 2 H acceptors: 3 LogP: 4.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cncn1C)Nc1cccc(c1)c1cccc(c1)c1nc2c([nH]1)ccc(c2)C(F)(F)F
  • InChi: 1S/C25H18F3N5O/c1-33-14-29-13-22(33)24(34)30-19-7-3-5-16(11-19)15-4-2-6-17(10-15)23-31-20-9-8-18(25(26,27)28)12-21(20)32-23/h2-14H,1H3,(H,30,34)(H,31,32)
  • InChiKey: GNOWZQZPZCPUTE-UHFFFAOYSA-N  


Substructure search Similarity search

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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
Onchocerca volvulus Serine\/threonine kinase homolog 0.0055 0.2833 0.3658
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 0.00000000061472
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0063 0.3283 0.5947
Brugia malayi M-phase phosphoprotein, mpp8 0.0007 0.0044 0.0056
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0019 0.0761 0.0761
Plasmodium vivax glutathione reductase, putative 0.0028 0.1249 0.226
Trypanosoma brucei unspecified product 0.0021 0.089 0.1314
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0552 0.0953
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0007 0.004 0.004
Leishmania major phosphoglycerate kinase C, glycosomal 0.0099 0.5377 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0289 0.0289
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.2336 0.4114
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0007 0.0044 0.0044
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 0.00000000061472
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 0.00000000061472
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0007 0.0044 0.0044
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.2833 0.2833
Trypanosoma brucei metacaspase MCA2 0.0016 0.0552 0.066
Schistosoma mansoni hypothetical protein 0.018 1 1
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0019 0.0761 0.0761
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.2336 0.4299
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0474 0.051
Trypanosoma brucei phosphoglycerate kinase, putative 0.0036 0.1759 0.2997
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0099 0.5377 1
Schistosoma mansoni chromobox protein 0.0041 0.2001 0.2001
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0031 0.1443 0.1443
Entamoeba histolytica hypothetical protein 0.0021 0.0869 0.1548
Trypanosoma brucei phosphoglycerate kinase 0.0099 0.5377 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.007 0.3688 0.673
Schistosoma mansoni DNA polymerase IV / kappa 0.001 0.0214 0.0214
Brugia malayi hypothetical protein 0.0051 0.262 0.3384
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0289 0.0289
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0289 0.0289
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0044 0.00000000061472
Trypanosoma cruzi DNA damage repair protein, putative 0.001 0.0214 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0552 0.0953
Echinococcus multilocularis Chromobox protein 3 0.0007 0.0044 0.0044
Treponema pallidum phosphoglycerate kinase 0.0099 0.5377 1
Brugia malayi Protein cec-1. 0.0007 0.0044 0.0056
Trypanosoma brucei metacaspase 0.0016 0.0552 0.066
Trypanosoma brucei hypothetical protein, conserved 0.001 0.0214 0.0006
Loa Loa (eye worm) hypothetical protein 0.0007 0.0044 0.0044
Echinococcus granulosus caspase 0.0016 0.0552 0.0552
Plasmodium vivax metacaspase 1, putative 0.0016 0.0552 0.0953
Echinococcus granulosus thioredoxin glutathione reductase 0.0028 0.1249 0.1249
Loa Loa (eye worm) helicase 0.0007 0.0044 0.0044
Toxoplasma gondii HEAT repeat-containing protein 0.0017 0.0629 0.1098
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0289 0.0461
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0007 0.0044 0.00000000061472
Schistosoma mansoni phosphoglycerate kinase 0.0099 0.5377 0.5377
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Trypanosoma brucei hypothetical protein, conserved 0.001 0.0214 0.0006
Echinococcus multilocularis thioredoxin glutathione reductase 0.0028 0.1249 0.1249
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.1231 0.2227
Schistosoma mansoni beta-arrestin 1 0.002 0.0819 0.0819
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.001 0.0211 0.0314
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0289 0.0373
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0021 0.0869 0.0869
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0014 0.0446 0.0754
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.0863 0.0863
Trypanosoma cruzi PAB1-binding protein , putative 0.0015 0.0507 0.0573
Plasmodium falciparum glutathione reductase 0.0028 0.1249 0.226
Echinococcus multilocularis dna polymerase kappa 0.0047 0.2336 0.2336
Echinococcus multilocularis dna polymerase eta 0.0046 0.2299 0.2299
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 0.00000000061472
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 0.00000000061472
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.2833 0.5231
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0552 0.0953
Mycobacterium tuberculosis Probable oxidoreductase 0.007 0.3688 0.673
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0016 0.0552 0.0552
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0044 0.00000000061472
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0589 0.1023
Trypanosoma cruzi metacaspase, putative 0.0016 0.0552 0.066
Schistosoma mansoni SET domain protein 0.0006 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0016 0.0552 0.0552
Mycobacterium tuberculosis Probable dehydrogenase 0.0063 0.3283 0.5947
Brugia malayi Phosphoglycerate kinase 0.0099 0.5377 0.6943
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.1665 0.2814
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Leishmania major importin beta-1 subunit, putative 0.0014 0.0446 0.0455
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0055 0.2833 0.2833
Trypanosoma cruzi DNA polymerase eta, putative 0.0024 0.1069 0.1662
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0055 0.2833 0.2833
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0036 0.1759 0.2997
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0044 0.00000000061472
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.2299 0.4041
Trypanosoma brucei importin beta-1 subunit, putative 0.0017 0.0629 0.0809
Loa Loa (eye worm) thioredoxin reductase 0.0028 0.1249 0.1249
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.2299 0.2968
Plasmodium vivax importin-beta 2, putative 0.0017 0.0629 0.1098
Plasmodium vivax DNA repair protein REV1, putative 0.001 0.0214 0.0319
Brugia malayi Heterochromatin protein 1 0.0041 0.2001 0.2583
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0016 0.0552 0.0953
Brugia malayi hypothetical protein 0.0015 0.0507 0.0655
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 0.00000000061472
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.2336 0.4114
Schistosoma mansoni caspase-7 (C14 family) 0.0016 0.0552 0.0552
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.001 0.0211 0.0211
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.1111 0.1743
Trypanosoma cruzi metacaspase, putative 0.0016 0.0552 0.066
Echinococcus multilocularis caspase 0.0016 0.0552 0.0552
Brugia malayi SET domain containing protein 0.0007 0.008 0.0104
Entamoeba histolytica hypothetical protein 0.0021 0.0869 0.1548
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0021 0.0869 0.0869
Schistosoma mansoni hypothetical protein 0.0099 0.5352 0.5352
Trypanosoma brucei phosphoglycerate kinase 0.0099 0.5377 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0872 0.0872
Leishmania major DNA polymerase kappa, putative 0.001 0.0214 0.0006
Trypanosoma brucei unspecified product 0.0043 0.2115 0.3685
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0016 0.0552 0.0953
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0007 0.004 0.004
Schistosoma mansoni kinase 0.0028 0.1273 0.1273
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0007 0.0065 0.0084
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0011 0.0289 0.0461
Schistosoma mansoni chromobox protein 0.0007 0.0044 0.0044
Schistosoma mansoni caspase-3 (C14 family) 0.0016 0.0552 0.0552
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.2336 0.4114
Echinococcus multilocularis Chromo domain 0.0007 0.0044 0.0044
Trypanosoma cruzi polo-like protein kinase, putative 0.0055 0.2833 0.5076
Trypanosoma brucei importin beta-1 subunit, putative 0.0017 0.0629 0.0809
Loa Loa (eye worm) CHromoDomain protein family member 0.0007 0.0044 0.0044
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.007 0.3688 0.1931
Toxoplasma gondii LsmAD domain-containing protein 0.0015 0.0507 0.0869
Loa Loa (eye worm) hypothetical protein 0.0025 0.1107 0.1107
Trypanosoma brucei PAB1-binding protein , putative 0.0015 0.0507 0.0573
Leishmania major phosphoglycerate kinase B, cytosolic 0.0099 0.5377 1
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.2833 0.5231
Onchocerca volvulus 0.0007 0.008 0.0104
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.2115 0.3685
Leishmania major metacaspase, putative 0.0016 0.0552 0.066
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0289 0.0289
Loa Loa (eye worm) RecQ helicase 0.0026 0.1184 0.1184
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.2833 0.5231
Echinococcus multilocularis phosphoglycerate kinase 1 0.0099 0.5377 0.5377
Entamoeba histolytica hypothetical protein 0.0021 0.0869 0.1548
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.1184 0.2137
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.007 0.3688 0.673
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0099 0.5377 1
Loa Loa (eye worm) pax transcription factor protein 2 0.0141 0.7745 0.7745
Schistosoma mansoni SET domain protein 0.0019 0.0761 0.0761
Brugia malayi hypothetical protein 0.0007 0.0044 0.0056
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0289 0.0152
Plasmodium falciparum importin beta, putative 0.0017 0.0629 0.1098
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0007 0.0044 0.0044
Brugia malayi serine/threonine-protein kinase plk-2 0.0055 0.2833 0.3658
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0016 0.0552 0.0953
Giardia lamblia DINP protein human, muc B family 0.0035 0.1665 0.2814
Brugia malayi Thioredoxin reductase 0.0028 0.1249 0.1612
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.001 0.0211 0.0314
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0589 0.1023
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0044 0.00000000061472
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0007 0.0044 0.0056
Echinococcus granulosus beta arrestin 1 0.0021 0.0872 0.0872
Trypanosoma cruzi trypanothione reductase, putative 0.0028 0.1249 0.2009
Schistosoma mansoni chromobox protein 0.0041 0.2001 0.2001
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0044 0.00000000061472
Mycobacterium tuberculosis Conserved hypothetical protein 0.0031 0.1443 0.2385
Trypanosoma brucei metacaspase MCA3 0.0016 0.0552 0.066
Entamoeba histolytica deoxycytidyl transferase, putative 0.0031 0.1443 0.2624
Loa Loa (eye worm) hypothetical protein 0.0018 0.0689 0.0689
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0055 0.2833 0.5076
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0214 0.0006
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.001 0.0211 0.0272
Schistosoma mansoni eyes absent homolog 0.0051 0.262 0.262
Plasmodium falciparum metacaspase 1 0.0016 0.0552 0.0953
Leishmania major DNA polymerase eta, putative 0.0046 0.2299 0.4041
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0014 0.0446 0.0754
Schistosoma mansoni DNA helicase recq5 0.0011 0.0289 0.0289
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0007 0.0044 0.0044
Trichomonas vaginalis mercuric reductase, putative 0.001 0.0211 0.0314
Plasmodium falciparum metacaspase-like protein 0.0016 0.0552 0.0953
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0063 0.3283 0.5947
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0036 0.1759 0.2997
Plasmodium falciparum DNA repair protein REV1, putative 0.001 0.0214 0.0319
Schistosoma mansoni chromobox protein 0.0007 0.0044 0.0044
Trichomonas vaginalis chromobox protein, putative 0.0041 0.2001 0.3669
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0036 0.1759 0.2997
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0289 0.0373
Brugia malayi CHD4 protein 0.0007 0.0044 0.0056
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0007 0.0065 0.0084
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0552 0.0953
Loa Loa (eye worm) hypothetical protein 0.0081 0.4291 0.4291
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.001 0.0211 0.0314
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0016 0.0552 0.0953
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0972 0.1741
Loa Loa (eye worm) transcription factor SMAD2 0.007 0.3671 0.3671
Echinococcus granulosus bloom syndrome protein 0.0026 0.1184 0.1184
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.001 0.0211 0.0314
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0016 0.0552 0.0953
Leishmania major trypanothione reductase 0.0028 0.1249 0.2009
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0007 0.0044 0.0044
Trypanosoma brucei Metacaspase-4 0.0016 0.0552 0.066
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 0.00000000061472
Trypanosoma brucei unspecified product 0.0021 0.089 0.1314
Echinococcus granulosus phosphoglycerate kinase 1 0.0099 0.5377 0.5377
Loa Loa (eye worm) hypothetical protein 0.0046 0.2299 0.2299
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0031 0.1443 0.1443
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0025 0.1072 0.1384
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0018 0.069 0.1213
Loa Loa (eye worm) hypothetical protein 0.0007 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0015 0.0507 0.0507
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0006 0.0017 0.0017
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.2336 0.4299
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0016 0.0552 0.0953
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.2833 0.5231
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0099 0.5377 1
Echinococcus multilocularis geminin 0.0099 0.5352 0.5352
Loa Loa (eye worm) hypothetical protein 0.0007 0.0044 0.0044
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.001 0.0211 0.0314
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0678 0.119
Toxoplasma gondii thioredoxin reductase 0.0028 0.1249 0.226
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0063 0.3283 0.5947
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0474 0.0807
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.1111 0.1743
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Plasmodium vivax hypothetical protein, conserved 0.0016 0.0552 0.0953
Plasmodium falciparum glutathione reductase 0.001 0.0211 0.0314
Schistosoma mansoni hypothetical protein 0.0007 0.0044 0.0044
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.1231 0.2227
Loa Loa (eye worm) hypothetical protein 0.0007 0.0044 0.0044
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0055 0.2833 0.2833
Loa Loa (eye worm) hypothetical protein 0.0017 0.0629 0.0629
Schistosoma mansoni beta-arrestin 1 0.0021 0.0872 0.0872
Giardia lamblia Phosphoglycerate kinase 0.0099 0.5377 1
Brugia malayi RNA, U transporter 1 0.0048 0.2415 0.3118
Leishmania major DNA damage repair protein, putative 0.001 0.0214 0.0006
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.1107 0.1734
Echinococcus multilocularis chromobox protein 2 0.0007 0.0044 0.0044
Plasmodium falciparum phosphoglycerate kinase 0.0099 0.5377 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0552 0.0552
Echinococcus granulosus importin subunit beta 1 0.0017 0.0629 0.0629
Trypanosoma cruzi polo-like protein kinase, putative 0.0055 0.2833 0.5076
Brugia malayi Valyl-tRNA synthetase 0.0007 0.0044 0.0056
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0036 0.1759 0.2997
Mycobacterium tuberculosis Probable reductase 0.0063 0.3283 0.5947
Onchocerca volvulus 0.0007 0.0044 0.0056
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0016 0.0552 0.0953
Onchocerca volvulus 0.0018 0.0689 0.089
Trypanosoma brucei DNA damage repair protein, putative 0.001 0.0214 0.0006
Echinococcus granulosus Chromobox protein 3 0.0007 0.0044 0.0044
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0099 0.5377 1
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0036 0.1759 0.2997
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0007 0.0044 0.00000000061472
Loa Loa (eye worm) hypothetical protein 0.0007 0.0044 0.0044
Leishmania major hypothetical protein, conserved 0.0015 0.0507 0.0573
Toxoplasma gondii ImpB/MucB/SamB family protein 0.001 0.0214 0.0319
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0063 0.3283 0.5947
Trypanosoma cruzi metacaspase, putative 0.0016 0.0552 0.066
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Trypanosoma cruzi metacaspase 5, putative 0.0016 0.0552 0.066
Echinococcus granulosus caspase 2 0.0016 0.0552 0.0552
Trypanosoma brucei DNA polymerase eta, putative 0.0046 0.2299 0.4041
Entamoeba histolytica serine/threonine protein kinase, putative 0.0055 0.2833 0.5231
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0044 0.00000000061472
Brugia malayi MH2 domain containing protein 0.007 0.3671 0.474
Onchocerca volvulus 0.0141 0.7745 1
Schistosoma mansoni importin beta-1 0.0017 0.0629 0.0629
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0289 0.0461
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0044 0.00000000061472
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0016 0.0552 0.0953
Plasmodium falciparum thioredoxin reductase 0.0028 0.1249 0.226
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0016 0.0552 0.0713
Loa Loa (eye worm) MH2 domain-containing protein 0.007 0.3671 0.3671
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0007 0.0044 0.0044
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0013 0.0435 0.0735
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0016 0.0552 0.0953
Loa Loa (eye worm) hypothetical protein 0.0099 0.5377 0.5377
Loa Loa (eye worm) glutathione reductase 0.0028 0.1249 0.1249
Echinococcus granulosus dna polymerase eta 0.0046 0.2299 0.2299
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Plasmodium falciparum thioredoxin reductase 0.001 0.0211 0.0314
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0016 0.0552 0.0953
Schistosoma mansoni transcription factor LCR-F1 0.0021 0.0869 0.0869
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0999 0.1791
Plasmodium vivax thioredoxin reductase, putative 0.0028 0.1249 0.226
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0044 0.00000000061472
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Entamoeba histolytica hypothetical protein 0.0007 0.0044 0.00000000061472
Brugia malayi polk-prov protein 0.0025 0.1107 0.1429
Plasmodium falciparum ataxin-2 like protein, putative 0.0015 0.0507 0.0869
Schistosoma mansoni caspase-7 (C14 family) 0.0016 0.0552 0.0552
Giardia lamblia Kinase, PLK 0.0055 0.2833 0.5076
Trypanosoma cruzi DNA damage repair protein, putative 0.001 0.0214 0.0006
Trichomonas vaginalis chromobox protein, putative 0.0025 0.1072 0.1928
Echinococcus multilocularis chromobox protein 1 0.0041 0.2001 0.2001
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Schistosoma mansoni DNA polymerase eta 0.0046 0.2299 0.2299
Brugia malayi hypothetical protein 0.001 0.0207 0.0267
Entamoeba histolytica hypothetical protein 0.0014 0.0446 0.0754
Echinococcus multilocularis caspase 2 0.0016 0.0552 0.0552
Echinococcus multilocularis bloom syndrome protein 0.0026 0.1184 0.1184
Brugia malayi glutathione reductase 0.0028 0.1249 0.1612
Echinococcus granulosus geminin 0.0099 0.5352 0.5352
Onchocerca volvulus Cell death protein 3 homolog 0.0016 0.0552 0.0713
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.1184 0.2137
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0007 0.008 0.008
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Echinococcus multilocularis beta arrestin 1 0.0021 0.0872 0.0872
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.1184 0.1528
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0099 0.5377 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0099 0.5377 1
Schistosoma mansoni phosphoglycerate kinase 0.0099 0.5377 0.5377
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.001 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0007 0.0044 0.0044
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0214 0.0006
Entamoeba histolytica hypothetical protein 0.0021 0.0869 0.1548
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0028 0.1249 0.2009
Brugia malayi hypothetical protein 0.0021 0.0869 0.1122
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0552 0.0953
Loa Loa (eye worm) hypothetical protein 0.0051 0.262 0.262
Brugia malayi Pax transcription factor protein 2 0.0141 0.7745 1
Echinococcus multilocularis beta arrestin 1 0.002 0.0819 0.0819
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.2833 0.5231
Echinococcus granulosus beta arrestin 1 0.0021 0.0872 0.0872
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0474 0.051
Loa Loa (eye worm) hypothetical protein 0.0023 0.0972 0.0972
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.1107 0.1734
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0023 0.0972 0.1255
Echinococcus granulosus Chromo domain 0.0007 0.0044 0.0044
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0007 0.0044 0.0044
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 0.00000000061472
Trichomonas vaginalis chromobox protein, putative 0.0025 0.1072 0.1928
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.2833 0.5231
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0972 0.1741
Leishmania major DNA polymerase eta, putative 0.0024 0.1069 0.1662
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.018 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0031 0.1443 0.1443
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.001 0.0211 0.0211
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0099 0.5377 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0035 0.1665 0.2814
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0099 0.5377 1
Trypanosoma brucei metacaspase 5, putative 0.0016 0.0552 0.066
Echinococcus granulosus chromobox protein 1 0.0041 0.2001 0.2001
Brugia malayi Importin beta-1 subunit 0.0017 0.0629 0.0812
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.2336 0.4114
Giardia lamblia DNA damage repair protein 0.001 0.0214 0.0006
Onchocerca volvulus 0.0007 0.0044 0.0056
Plasmodium falciparum ataxin-2 like protein, putative 0.0015 0.0507 0.0869
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0035 0.1665 0.2814
Plasmodium vivax ataxin-2 like protein, putative 0.0015 0.0507 0.0869
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.2336 0.4114
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.2833 0.5231
Echinococcus multilocularis caspase 8 0.0016 0.0552 0.0552
Echinococcus granulosus dna polymerase kappa 0.0047 0.2336 0.2336
Schistosoma mansoni DNA helicase recq1 0.0011 0.0289 0.0289
Chlamydia trachomatis phosphoglycerate kinase 0.0099 0.5377 1
Trypanosoma brucei chrX additional, unordered contigs 0.001 0.0214 0.0006
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0036 0.1759 0.2997
Leishmania major DNA polymerase kappa, putative 0.0035 0.1665 0.2814
Loa Loa (eye worm) heterochromatin protein 1 0.0041 0.2001 0.2001
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0016 0.0552 0.0953
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0289 0.0289
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.1111 0.1743
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0031 0.1443 0.1443
Echinococcus granulosus chromobox protein 2 0.0007 0.0044 0.0044
Trypanosoma brucei polo-like protein kinase 0.0055 0.2833 0.5076
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0474 0.051
Loa Loa (eye worm) hypothetical protein 0.0051 0.262 0.262
Plasmodium vivax hypothetical protein, conserved 0.0007 0.0044 0.00000000061472
Loa Loa (eye worm) hypothetical protein 0.0011 0.0289 0.0289
Trypanosoma cruzi metacaspase, putative 0.0016 0.0552 0.066
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0016 0.0552 0.0552
Brugia malayi chromobox protein homolog 3 0.0023 0.0972 0.1255
Loa Loa (eye worm) hypothetical protein 0.0007 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0021 0.0869 0.0869
Echinococcus granulosus caspase 8 0.0016 0.0552 0.0552
Schistosoma mansoni hypothetical protein 0.0099 0.5352 0.5352
Echinococcus granulosus chromobox protein 1 0.0041 0.2001 0.2001
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0024 0.1069 0.1923
Plasmodium vivax phosphoglycerate kinase, putative 0.0099 0.5377 1
Brugia malayi Probable beta-arrestin 0.0021 0.0872 0.1126
Trichomonas vaginalis chromobox protein, putative 0.0041 0.2001 0.3669
Mycobacterium ulcerans hypothetical protein 0.001 0.0214 0.0006
Brugia malayi ImpB/MucB/SamB family protein 0.0031 0.1443 0.1863
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0474 0.0807
Trypanosoma brucei trypanothione reductase 0.0028 0.1249 0.2009
Brugia malayi Cell death protein 3 precursor 0.0016 0.0552 0.0713
Trypanosoma cruzi importin beta-1 subunit, putative 0.0014 0.0446 0.0455
Brugia malayi Phosphoglycerate kinase 0.0036 0.1759 0.2271
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0016 0.0552 0.0552
Echinococcus multilocularis snurportin 1 0.018 1 1
Echinococcus granulosus beta arrestin 1 0.002 0.0819 0.0819
Trypanosoma brucei DNA damage repair protein, putative 0.001 0.0214 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0552 0.0953
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0007 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0007 0.004 0.004
Entamoeba histolytica phosphoglycerate kinase, putative 0.0099 0.5377 1
Toxoplasma gondii NADPH-glutathione reductase 0.001 0.0211 0.0314
Trypanosoma cruzi metacaspase 5, putative 0.0016 0.0552 0.066
Echinococcus multilocularis chromobox protein 1 0.0041 0.2001 0.2001
Trypanosoma brucei phosphoglycerate kinase 0.0036 0.1759 0.2997
Mycobacterium ulcerans phosphoglycerate kinase 0.0099 0.5377 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0031 0.1443 0.1443
Trichomonas vaginalis importin beta-1, putative 0.0014 0.0446 0.0754
Brugia malayi Associated with TFs and helicases family protein 0.0007 0.0044 0.0056
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0006 0.0017 0.0017
Echinococcus multilocularis beta arrestin 1 0.0021 0.0872 0.0872
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0099 0.5377 1
Echinococcus multilocularis importin subunit beta 1 0.0017 0.0629 0.0629
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0016 0.0552 0.0953
Trichomonas vaginalis glutathione reductase, putative 0.001 0.0211 0.0314
Trypanosoma cruzi PAB1-binding protein , putative 0.0015 0.0507 0.0573

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -1.02 % 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) = -0.89 % 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) = 2.87 % 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) = 38 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 99 % 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) = 100 % 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) = 3.6 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 0 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 38 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 99 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 103 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.69 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.20482 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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