Detailed information for compound 593855

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 505.49 | Formula: C24H26F3N5O4
  • H donors: 4 H acceptors: 5 LogP: 5.17 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.Cc1cc(NCCC(=O)Nc2ccccc2)nc(n1)NCCOc1ccccc1
  • InChi: 1S/C22H25N5O2.C2HF3O2/c1-17-16-20(23-13-12-21(28)26-18-8-4-2-5-9-18)27-22(25-17)24-14-15-29-19-10-6-3-7-11-19;3-2(4,5)1(6)7/h2-11,16H,12-15H2,1H3,(H,26,28)(H2,23,24,25,27);(H,6,7)
  • InChiKey: WYOJYPIJZYSUPP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus muscleblind protein 0.03 0.9003 0.9003
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0752 0.1068
Schistosoma mansoni DNA polymerase IV / kappa 0.0048 0.1268 0.1263
Loa Loa (eye worm) hypothetical protein 0.0011 0.0121 0.0115
Schistosoma mansoni hypothetical protein 0.0017 0.0307 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0121 0.0115
Plasmodium vivax thioredoxin reductase, putative 0.0074 0.208 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.017 0.0164
Entamoeba histolytica hypothetical protein 0.0025 0.0571 0.1247
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0008 0.0027 0.0021
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0121 0.0115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0121 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.0075 0.2091 0.2985
Trypanosoma brucei DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Trypanosoma brucei DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0121 0.0115
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.054 0.0604
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0185 0.0179
Brugia malayi RNA, U transporter 1 0.0088 0.2514 0.2788
Schistosoma mansoni cpg binding protein 0.0031 0.076 0.0755
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0121 0.0115
Echinococcus multilocularis musashi 0.0026 0.0602 0.0597
Echinococcus multilocularis dna polymerase eta 0.0234 0.699 0.6989
Leishmania major DNA polymerase kappa, putative 0.0048 0.1268 0.1807
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0026 0.0587 0.0832
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0495 0.8414
Trypanosoma cruzi trypanothione reductase, putative 0.0026 0.0587 0.0832
Trichomonas vaginalis apoptosis inducing factor, putative 0.0007 0.0006 0.0004
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0587 0.0832
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0121 0.0115
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0007 0.0006 0.001
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.1268 0.1807
Trypanosoma brucei DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Trypanosoma brucei DNA polymerase kappa, putative 0.0113 0.3271 0.4674
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.1268 0.1807
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0007 0.0006 0.0004
Trypanosoma brucei DNA polymerase kappa, putative 0.0161 0.4743 0.6782
Echinococcus multilocularis dna polymerase kappa 0.0181 0.5362 0.5359
Schistosoma mansoni importin beta-1 0.0031 0.0752 0.0746
Plasmodium falciparum importin beta, putative 0.0031 0.0752 0.3596
Trypanosoma cruzi DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Onchocerca volvulus 0.003 0.0708 0.3087
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0026 0.0587 0.2803
Mycobacterium tuberculosis Probable dehydrogenase 0.017 0.5005 0.8959
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0019 0.0377 0.0413
Mycobacterium tuberculosis Probable reductase 0.017 0.5005 0.8959
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0026 0.0587 0.0657
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0752 0.1068
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0121 0.0505
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.017 0.5005 0.8959
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0185 0.0179
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0571 0.0642
Brugia malayi DnaJ domain containing protein 0.006 0.1625 0.1799
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.6259 0.8953
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0121 0.0128
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1168 0.1162
Mycobacterium ulcerans glutaminase 0.0295 0.8858 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0121 0.0115
Schistosoma mansoni cpg binding protein 0.003 0.0708 0.0703
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0495 0.2359
Echinococcus multilocularis dnaJ subfamily C 6 0.006 0.1625 0.162
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0022 0.0017
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0495 0.0553
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0022 0.0017
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0121 0.0115
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0121 0.0115
Onchocerca volvulus 0.0015 0.0271 0.1167
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0024 0.054 0.0607
Trypanosoma brucei DNA polymerase IV, putative 0.0174 0.5157 0.7376
Trypanosoma brucei DNA damage repair protein, putative 0.0048 0.1268 0.1807
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0499 0.0706
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0121 0.0115
Leishmania major trypanothione reductase 0.0074 0.208 0.2969
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0007 0.0006 0.0004
Plasmodium vivax importin-beta 2, putative 0.0031 0.0752 0.3596
Loa Loa (eye worm) hypothetical protein 0.0026 0.0602 0.0597
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0121 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.0113 0.3271 0.4674
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0121 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0121 0.0128
Trypanosoma brucei hypothetical protein, conserved 0.0048 0.1268 0.1807
Trypanosoma cruzi DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Leishmania major GTP-binding protein, putative 0.0023 0.0499 0.0706
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0571 0.0809
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0006 0.0004
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0026 0.0587 0.0582
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0006 0.0004
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1732 0.1727
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0121 0.0115
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.054 0.0765
Trypanosoma brucei unspecified product 0.0106 0.3066 0.4382
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0006 0.0004
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.2282 0.2277
Schistosoma mansoni glutaminase 0.0295 0.8858 0.8857
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1168 0.1291
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0188 0.5587 1
Brugia malayi glutaminase DH11.1 0.0295 0.8858 0.9838
Brugia malayi nuclear receptor NHR-88 0.0011 0.0121 0.0128
Loa Loa (eye worm) DnaJ domain-containing protein 0.006 0.1625 0.162
Loa Loa (eye worm) hypothetical protein 0.0031 0.0752 0.0746
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1525 0.409
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0121 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0121 0.0128
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0587 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0121 0.0115
Trypanosoma cruzi DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0121 0.0115
Schistosoma mansoni ran 0.0023 0.0499 0.0494
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0121 0.0115
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0007 0.0006 0.001
Brugia malayi Muscle positioning protein 4 0.0015 0.0271 0.0295
Brugia malayi ImpB/MucB/SamB family protein 0.0234 0.699 0.7763
Trypanosoma brucei hypothetical protein, conserved 0.021 0.6259 0.8953
Trypanosoma cruzi trypanothione reductase, putative 0.0074 0.208 0.2969
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0499 0.0706
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0708 0.0703
Trypanosoma brucei DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Loa Loa (eye worm) hypothetical protein 0.0015 0.0271 0.0266
Trypanosoma brucei DNA polymerase IV, putative 0.0181 0.5362 0.7668
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0121 0.0115
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0074 0.208 0.3722
Echinococcus multilocularis snurportin 1 0.0332 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1168 0.1162
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0161 0.4743 0.6782
Echinococcus granulosus importin subunit beta 1 0.0031 0.0752 0.0746
Loa Loa (eye worm) hypothetical protein 0.0017 0.0307 0.0302
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0587 0.0832
Onchocerca volvulus 0.0017 0.0307 0.1325
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0121 0.0128
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0121 0.0115
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.017 0.5005 0.8959
Plasmodium vivax DNA repair protein REV1, putative 0.0048 0.1268 0.6085
Brugia malayi CXXC zinc finger family protein 0.003 0.0708 0.0781
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0587 0.0832
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0121 0.0128
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0495 0.1317
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0121 0.0115
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0121 0.0115
Echinococcus granulosus MAM 0.0017 0.0307 0.0302
Brugia malayi SEA domain containing protein 0.0015 0.0271 0.0295
Mycobacterium tuberculosis Putative ferredoxin reductase 0.017 0.5005 0.8959
Loa Loa (eye worm) hypothetical protein 0.0011 0.0121 0.0115
Loa Loa (eye worm) hypothetical protein 0.0017 0.0307 0.0302
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.2282 0.2277
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0495 0.8414
Trypanosoma brucei hypothetical protein, conserved 0.0048 0.1268 0.1807
Echinococcus multilocularis lamin dm0 0.0026 0.0602 0.0597
Echinococcus multilocularis muscleblind protein 0.03 0.9003 0.9003
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.054 0.0535
Trypanosoma brucei chrX additional, unordered contigs 0.0048 0.1268 0.1807
Schistosoma mansoni ran 0.0023 0.0499 0.0494
Brugia malayi nuclear hormone receptor 0.0011 0.0121 0.0128
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0121 0.0128
Leishmania major DNA polymerase eta, putative 0.0128 0.372 0.5317
Trypanosoma brucei DNA damage repair protein, putative 0.0048 0.1268 0.1807
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0026 0.0587 0.2803
Trichomonas vaginalis glutamate synthase, putative 0.0007 0.0006 0.0004
Plasmodium falciparum DNA repair protein REV1, putative 0.0048 0.1268 0.6085
Echinococcus granulosus thioredoxin glutathione reductase 0.0075 0.211 0.2105
Plasmodium falciparum glutathione reductase 0.0074 0.208 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0121 0.0128
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.054 0.0604
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.054 0.0967
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0121 0.0115
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0499 0.2379
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.2282 0.2277
Schistosoma mansoni intermediate filament proteins 0.0026 0.0602 0.0597
Trichomonas vaginalis DNA polymerase eta, putative 0.0181 0.5362 0.6052
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.017 0.5005 0.8959
Onchocerca volvulus 0.0015 0.0271 0.1167
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0022 0.0017
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0495 0.0553
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0026 0.0587 0.0657
Trypanosoma cruzi DNA damage repair protein, putative 0.0048 0.1268 0.1807
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.2282 0.253
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0075 0.0076
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0495 0.07
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0154 0.4538 0.4535
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0188 0.5587 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.054 0.0604
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0007 0.0006 0.0004
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0007 0.0006 0.001
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.054 0.0535
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0121 0.0115
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0026 0.0587 0.1051
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0499 0.0494
Toxoplasma gondii thioredoxin reductase 0.0074 0.208 0.5584
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0121 0.0115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0121 0.0115
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1168 0.1162
Trypanosoma brucei unspecified product 0.0174 0.5157 0.7376
Trichomonas vaginalis glutathione reductase, putative 0.0026 0.0587 0.066
Schistosoma mansoni hypothetical protein 0.0332 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0121 0.0115
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1168 0.1162
Brugia malayi Protein kinase domain containing protein 0.0017 0.0307 0.0335
Giardia lamblia NADH oxidase lateral transfer candidate 0.0026 0.0587 0.1227
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0121 0.0115
Loa Loa (eye worm) hypothetical protein 0.0075 0.2091 0.2086
Plasmodium vivax glutathione reductase, putative 0.0074 0.208 1
Brugia malayi Importin beta-1 subunit 0.0031 0.0752 0.0829
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0499 0.0706
Echinococcus granulosus intermediate filament protein 0.0026 0.0602 0.0597
Trypanosoma cruzi DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Schistosoma mansoni terminal deoxycytidyl transferase 0.0154 0.4538 0.4535
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0499 0.0494
Trichomonas vaginalis mercuric reductase, putative 0.0026 0.0587 0.066
Loa Loa (eye worm) hypothetical protein 0.0015 0.0271 0.0266
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0499 0.0494
Trypanosoma brucei DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Trichomonas vaginalis ran, putative 0.0023 0.0499 0.0561
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0495 0.1317
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0161 0.4743 0.8489
Trypanosoma cruzi DNA damage repair protein, putative 0.0048 0.1268 0.1807
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0026 0.0587 0.0832
Trypanosoma cruzi DNA polymerase eta, putative 0.0234 0.699 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0026 0.0587 0.0646
Schistosoma mansoni hypothetical protein 0.006 0.1625 0.162
Mycobacterium ulcerans hypothetical protein 0.0048 0.1268 0.1426
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0602 0.0663
Mycobacterium ulcerans hypothetical protein 0.0024 0.054 0.0604
Mycobacterium tuberculosis Probable oxidoreductase 0.0188 0.5587 1
Schistosoma mansoni hypothetical protein 0.0017 0.0307 0.0302
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.054 0.0765
Trypanosoma brucei unspecified product 0.0106 0.3066 0.4382
Trypanosoma brucei DNA polymerase eta, putative 0.0234 0.699 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.017 0.5005 0.8958
Trypanosoma brucei DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Loa Loa (eye worm) hypothetical protein 0.0026 0.0587 0.0582
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0007 0.0006 0.001
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0007 0.0006 0.001
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0121 0.0115
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0006 0.0004
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0026 0.0587 0.0657
Onchocerca volvulus 0.0015 0.0271 0.1167
Entamoeba histolytica Ran family GTPase 0.0023 0.0499 0.1089
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0499 0.1042
Loa Loa (eye worm) hypothetical protein 0.0234 0.699 0.6989
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0026 0.0587 0.2803
Toxoplasma gondii NADPH-glutathione reductase 0.0026 0.0587 0.1565
Trypanosoma brucei DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Schistosoma mansoni lamin 0.0026 0.0602 0.0597
Treponema pallidum NADH oxidase 0.0026 0.0587 1
Trypanosoma brucei DNA polymerase IV, putative 0.0181 0.5362 0.7668
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0121 0.0128
Trypanosoma brucei DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.054 0.0765
Echinococcus granulosus lamin dm0 0.0026 0.0602 0.0597
Trypanosoma brucei DNA polymerase kappa, putative 0.0075 0.2091 0.2985
Echinococcus multilocularis MAM 0.0017 0.0307 0.0302
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0188 0.5587 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0121 0.0115
Loa Loa (eye worm) glutaminase 2 0.0295 0.8858 0.8857
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0006 0.0004
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0602 0.0597
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0026 0.0587 0.2803
Loa Loa (eye worm) hypothetical protein 0.0081 0.2282 0.2277
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0587 0.0832
Brugia malayi hypothetical protein 0.0017 0.0307 0.0335
Schistosoma mansoni DNA polymerase eta 0.0234 0.699 0.6989
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0587 0.0832
Leishmania major DNA polymerase kappa, putative 0.0161 0.4743 0.6782
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0752 0.0746
Mycobacterium ulcerans DNA polymerase IV 0.0181 0.5362 0.605
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0121 0.0128
Plasmodium falciparum thioredoxin reductase 0.0026 0.0587 0.2803
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0026 0.0587 0.0832
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0007 0.0006 0.0004
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0571 0.0642
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0602 0.0597
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0128 0.372 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0587 0.0832
Giardia lamblia DNA damage repair protein 0.0048 0.1268 0.2664
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0121 0.0115
Trichomonas vaginalis protein kinase inhibitor, putative 0.006 0.1625 0.1832
Trypanosoma brucei DNA polymerase kappa, putative 0.0113 0.3271 0.4674
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0121 0.0128
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0121 0.0115
Onchocerca volvulus 0.0015 0.0271 0.1167
Loa Loa (eye worm) hypothetical protein 0.03 0.9003 0.9003
Onchocerca volvulus 0.0081 0.2282 1
Leishmania major importin beta-1 subunit, putative 0.0025 0.0571 0.0809
Echinococcus multilocularis lamin 0.0026 0.0602 0.0597
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0499 0.1329
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0121 0.0115
Plasmodium falciparum thioredoxin reductase 0.0074 0.208 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0128 0.372 0.5317
Brugia malayi glutathione reductase 0.0074 0.208 0.2305
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0048 0.1268 0.3398
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0026 0.0587 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0121 0.0115
Loa Loa (eye worm) hypothetical protein 0.0011 0.0121 0.0115
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0752 0.2008
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0121 0.0505
Trichomonas vaginalis glutamate synthase, putative 0.0007 0.0006 0.0004
Loa Loa (eye worm) hypothetical protein 0.0011 0.0121 0.0115
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0154 0.4538 0.4535
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0121 0.0505
Brugia malayi polk-prov protein 0.0075 0.2091 0.2317
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0571 0.0642
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.054 0.0604
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0495 0.2359
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0026 0.0587 0.0582
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0121 0.0115
Brugia malayi ecdysteroid receptor 0.0011 0.0121 0.0128
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0495 0.8414
Schistosoma mansoni cpg binding protein 0.0031 0.076 0.0755
Loa Loa (eye worm) hypothetical protein 0.0013 0.0185 0.0179
Echinococcus granulosus cpg binding protein 0.0031 0.076 0.0755
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0495 0.0876
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0026 0.0587 0.0582
Trichomonas vaginalis glutaminase, putative 0.0295 0.8858 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0181 0.5362 0.6052
Brugia malayi Thioredoxin reductase 0.0074 0.208 0.2305
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0019 0.0377 0.0413
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0495 0.0886
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0121 0.0128
Brugia malayi Muscleblind-like protein 0.03 0.9003 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0078 0.0072
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0121 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0121 0.0128
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0121 0.0128
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0587 0.0832
Giardia lamblia DINP protein human, muc B family 0.0161 0.4743 1
Schistosoma mansoni coup transcription factor 0.0011 0.0121 0.0115
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0121 0.0128
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0154 0.4538 0.4535
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1168 0.1162
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0121 0.0115
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0026 0.0587 0.0832
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0078 0.0072
Onchocerca volvulus 0.0017 0.0307 0.1325
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.4538 0.8124
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0587 0.0832
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0121 0.0128
Loa Loa (eye worm) thioredoxin reductase 0.0074 0.208 0.2075
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0022 0.0017
Leishmania major hypothetical protein, conserved 0.021 0.6259 0.8953
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0587 0.0832
Loa Loa (eye worm) hypothetical protein 0.03 0.9003 0.9003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1168 0.1162
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0228 0.0222
Loa Loa (eye worm) hypothetical protein 0.0011 0.0121 0.0115
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0587 0.0832
Entamoeba histolytica deoxycytidyl transferase, putative 0.0154 0.4538 1
Onchocerca volvulus 0.0026 0.0602 0.262
Leishmania major DNA polymerase eta, putative 0.0234 0.699 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0121 0.0115
Trypanosoma brucei trypanothione reductase 0.0074 0.208 0.2969
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0587 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0332 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0078 0.0072
Onchocerca volvulus 0.0011 0.0121 0.0505
Brugia malayi steroid hormone receptor 0.0011 0.0121 0.0128
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0007 0.0006 0.0004
Echinococcus granulosus dna polymerase kappa 0.0181 0.5362 0.5359
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0121 0.0115
Echinococcus multilocularis cpg binding protein 0.0031 0.076 0.0755
Loa Loa (eye worm) hypothetical protein 0.0012 0.017 0.0164
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0587 0.0832
Loa Loa (eye worm) glutaminase 0.0295 0.8858 0.8857
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0121 0.0115
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0499 0.2379
Brugia malayi intermediate filament protein 0.0026 0.0602 0.0663
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0022 0.0017
Plasmodium falciparum glutathione reductase 0.0026 0.0587 0.2803
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0121 0.0115
Mycobacterium ulcerans DNA polymerase IV 0.0181 0.5362 0.605
Schistosoma mansoni lamin 0.0026 0.0602 0.0597
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0121 0.0115
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.6259 0.8953
Echinococcus granulosus lamin 0.0026 0.0602 0.0597
Mycobacterium tuberculosis Conserved protein 0.0024 0.054 0.0967
Schistosoma mansoni hypothetical protein 0.0015 0.0271 0.0266
Loa Loa (eye worm) hypothetical protein 0.0017 0.0307 0.0302
Leishmania major DNA damage repair protein, putative 0.0048 0.1268 0.1807
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1168 0.1162
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0121 0.0115
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0055 0.1472 0.3948
Echinococcus multilocularis thioredoxin glutathione reductase 0.0075 0.211 0.2105
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0007 0.0006 0.001
Trypanosoma brucei DNA polymerase kappa, putative 0.0181 0.5362 0.7668
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0495 0.07
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0587 0.0832
Loa Loa (eye worm) glutathione reductase 0.0074 0.208 0.2075
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0228 0.0247
Echinococcus granulosus dna polymerase eta 0.0234 0.699 0.6989
Loa Loa (eye worm) TK/ALK protein kinase 0.0017 0.0307 0.0302
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0026 0.0587 0.1565
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1168 0.1162
Echinococcus granulosus dnaJ subfamily C 6 0.006 0.1625 0.162
Echinococcus multilocularis muscleblind protein 1 0.03 0.9003 0.9003
Onchocerca volvulus 0.0015 0.0271 0.1167
Onchocerca volvulus 0.0026 0.0602 0.262
Loa Loa (eye worm) DOMON domain-containing protein 0.0015 0.0271 0.0266
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0499 0.0548
Brugia malayi ImpB/MucB/SamB family protein 0.0154 0.4538 0.5038
Entamoeba histolytica hypothetical protein 0.0023 0.0495 0.1079
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0154 0.4538 0.4535

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -1.58 % 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) = -0.67 % 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) = -0.01 % 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 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 5 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 9 % 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) = 4.88 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) = 5 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 9 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 100 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 5.94 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 1.14275 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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