Detailed information for compound 114491

Basic information

Technical information
  • TDR Targets ID: 114491
  • Name: N-benzyl-1-phenyl-N-[(E)-pyridin-4-ylmethylid eneamino]methanamine
  • MW: 301.385 | Formula: C20H19N3
  • H donors: 0 H acceptors: 1 LogP: 4.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)CN(Cc1ccccc1)/N=C/c1ccncc1
  • InChi: 1S/C20H19N3/c1-3-7-19(8-4-1)16-23(17-20-9-5-2-6-10-20)22-15-18-11-13-21-14-12-18/h1-15H,16-17H2/b22-15+
  • InChiKey: WYCMPKPVJANJQL-PXLXIMEGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-benzyl-1-phenyl-N-[(E)-4-pyridylmethyleneamino]methanamine
  • 1-phenyl-N-(phenylmethyl)-N-[(E)-pyridin-4-ylmethylideneamino]methanamine
  • dibenzyl-[(E)-4-pyridylmethyleneamino]amine
  • 1-phenyl-N-(phenylmethyl)-N-(pyridin-4-ylmethylideneamino)methanamine
  • 1-phenyl-N-(phenylmethyl)-N-(4-pyridylmethyleneamino)methanamine
  • bis(benzyl)-(4-pyridylmethyleneamino)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucose-6-phosphatase, catalytic subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis conserved hypothetical protein Get druggable targets OG5_134961 All targets in OG5_134961
Echinococcus multilocularis conserved hypothetical protein Get druggable targets OG5_134961 All targets in OG5_134961
Schistosoma mansoni glucose-6-phosphatase Get druggable targets OG5_134961 All targets in OG5_134961
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii ABC1 family protein 0.0035 0.0335 0.2506
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0335 0.0288
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0364 0.4597
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0335 0.0774
Chlamydia trachomatis monooxygenase 0.0032 0.0297 0.1868
Onchocerca volvulus 0.0059 0.0694 0.087
Loa Loa (eye worm) hypothetical protein 0.0049 0.0551 0.0927
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.01 0.0168
Leishmania major hypothetical protein, conserved 0.0032 0.0297 0.2025
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0251 0.1549
Brugia malayi beta-lactamase family protein 0.0035 0.0335 0.0518
Echinococcus granulosus L aminoadipate semialdehyde 0.0163 0.2242 0.2237
Brugia malayi steroid hormone receptor 0.002 0.0114 0.0144
Loa Loa (eye worm) hypothetical protein 0.0016 0.0048 0.0081
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.01 0.0093
Toxoplasma gondii FAD binding domain-containing protein 0.0032 0.0297 0.2118
Echinococcus granulosus bloom syndrome protein 0.0045 0.0477 0.0471
Leishmania major phosphopantetheinyl transferase-like protein 0.0046 0.0498 0.4095
Trypanosoma brucei kynurenine 3-monooxygenase, putative 0.0032 0.0297 0.2077
Echinococcus multilocularis geminin 0.0164 0.2261 0.2255
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0048 0.0033
Loa Loa (eye worm) hypothetical protein 0.002 0.0114 0.0191
Mycobacterium tuberculosis Possible oxidoreductase 0.0032 0.0297 0.0648
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0114 0.0066
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0412 0.5941 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0644
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0251 0.0376
Wolbachia endosymbiont of Brugia malayi 2-polyprenyl-6-methoxyphenol 4-hydroxylase 0.0032 0.0297 0.1868
Mycobacterium ulcerans oxidoreductase 0.0032 0.0297 0.3217
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0046 0.0498 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0335 0.0141
Schistosoma mansoni inositol transporter 0.0038 0.0381 0.0335
Brugia malayi intermediate filament protein 0.0027 0.0213 0.0313
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0214 0.3 0.9556
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0364 0.272
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0644
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0335 0.0351
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0114 0.0106
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0046 0.0498 0.4164
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0046 0.0498 0.4164
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0114 0.0106
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0163 0.2242 0.3744
Onchocerca volvulus 0.0027 0.0213 0.0149
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0335 0.0351
Echinococcus granulosus sodium:glucose cotransporter 2 0.0038 0.0381 0.0374
Schistosoma mansoni hypothetical protein 0.0034 0.0318 0.0271
Mycobacterium tuberculosis Possible oxidoreductase 0.0032 0.0297 0.0648
Brugia malayi ecdysteroid receptor 0.002 0.0114 0.0144
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0213 0.0359
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0213 0.0313
Mycobacterium ulcerans hypothetical protein 0.0032 0.0297 0.3217
Plasmodium falciparum FAD-dependent monooxygenase, putative 0.0032 0.0297 0.2118
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0089 0.0102
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0694 0.6158
Schistosoma mansoni hypothetical protein 0.0164 0.2261 0.2224
Echinococcus multilocularis solute carrier family 5 0.0038 0.0381 0.0374
Schistosoma mansoni thyroid hormone receptor 0.002 0.0114 0.0066
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0114 0.0144
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0251 0.0203
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0251 0.0496
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0364 0.272
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0213 0.0359
Mycobacterium tuberculosis Probable oxidoreductase 0.0032 0.0297 0.0648
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0251 0.1549
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0564
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0251 0.0243
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0644
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0114 0.0066
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0711 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0214 0.3 0.9556
Trichomonas vaginalis set domain proteins, putative 0.0469 0.6787 1
Toxoplasma gondii thioredoxin reductase 0.0084 0.1071 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0694 0.0649
Loa Loa (eye worm) glutathione reductase 0.0084 0.1071 0.1803
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0251 0.2461
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0251 0.2461
Plasmodium falciparum thioredoxin reductase 0.0029 0.0251 0.1648
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0711 0.0705
Loa Loa (eye worm) hypothetical protein 0.002 0.0114 0.0191
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0018 0.0089 0.0081
Trypanosoma cruzi Monooxygenase, putative 0.0032 0.0297 0.2025
Brugia malayi nuclear receptor NHR-88 0.002 0.0114 0.0144
Echinococcus granulosus dna polymerase eta 0.0019 0.01 0.0093
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0089 0.0102
Brugia malayi glutathione reductase 0.0084 0.1071 0.1764
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.003 0.0258 0.1721
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0193 0.2681 0.8503
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0335 0.2417
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0048 0.0041
Toxoplasma gondii NADPH-glutathione reductase 0.0029 0.0251 0.1648
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0711 0.0667
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0046 0.0498 1
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0114 0.0066
Brugia malayi Pre-SET motif family protein 0.0412 0.5941 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0214 0.3 0.9556
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0644
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 0.0644
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0048 0.0081
Schistosoma mansoni intermediate filament proteins 0.0027 0.0213 0.0166
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0114 0.0144
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0048 0.0041
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0251 0.1549
Brugia malayi Pre-SET motif family protein 0.0059 0.0694 0.1125
Loa Loa (eye worm) thioredoxin reductase 0.0084 0.1071 0.1803
Entamoeba histolytica hypothetical protein 0.0046 0.0498 1
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0364 0.0395
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0114 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0114 0.0144
Plasmodium vivax glutathione reductase, putative 0.0084 0.1071 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0364 0.1385
Loa Loa (eye worm) hypothetical protein 0.0163 0.2242 0.3774
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0564
Leishmania major hypothetical protein, conserved 0.0032 0.0297 0.2025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0114 0.0191
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0021 0.0135 0.018
Trypanosoma brucei trypanothione reductase 0.0084 0.1071 0.7719
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0046 0.0498 0.3013
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0694 0.0687
Echinococcus multilocularis lamin dm0 0.0027 0.0213 0.0206
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0114 0.0066
Echinococcus granulosus dna polymerase kappa 0.0019 0.01 0.0093
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0318 0.049
Brugia malayi nuclear hormone receptor 0.002 0.0114 0.0144
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0046 0.0498 0.6507
Schistosoma mansoni coup transcription factor 0.002 0.0114 0.0066
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0364 0.0613
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0114 0.0066
Brugia malayi Bloom's syndrome protein homolog 0.0045 0.0477 0.076
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0251 0.1549
Giardia lamblia DINP protein human, muc B family 0.0019 0.01 0.0415
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0694 0.0687
Loa Loa (eye worm) hypothetical protein 0.0026 0.0206 0.0347
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0114 0.0106
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0193 0.2681 0.8503
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 0.0644
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0251 0.1549
Loa Loa (eye worm) RecQ helicase 0.0045 0.0477 0.0804
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0114 0.0191
Mycobacterium tuberculosis Probable reductase 0.0193 0.2681 0.8503
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0335 0.0328
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0364 0.272
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0018 0.0089 0.0081
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0048 0.0041
Loa Loa (eye worm) hypothetical protein 0.002 0.0114 0.0191
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0114 0.0191
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0028 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0114 0.0144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0114 0.0191
Loa Loa (eye worm) hypothetical protein 0.002 0.0114 0.0191
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0364 0.6641
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.003 0.0263 0.0152
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0644
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0193 0.2681 0.8817
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0364 0.0357
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0251 0.1549
Echinococcus granulosus lamin 0.0027 0.0213 0.0206
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0114 0.0066
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0251 0.1549
Onchocerca volvulus 0.0035 0.0335 0.0332
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0114 0.0066
Loa Loa (eye worm) hypothetical protein 0.0059 0.0694 0.1168
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0029 0.0251 0.1648
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0694 0.0649
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0251 0.1549
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0711 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0335 0.0351
Echinococcus multilocularis high affinity choline transporter 1 0.0345 0.4945 0.4942
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0012
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0114 0.0066
Schistosoma mansoni high-affinity choline transporter 0.0345 0.4945 0.4921
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0364 0.2804
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0364 0.0568
Plasmodium vivax FAD-dependent monooxygenase, putative 0.0032 0.0297 0.0563
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0169 0.071
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0114 0.0106
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0114 0.0106
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0644
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0251 0.2461
Onchocerca volvulus 0.0035 0.0335 0.0332
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0169 0.0103
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.0364 0.4321
Echinococcus granulosus GPCR family 2 0.0016 0.0048 0.0041
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0029 0.0251 0.1648
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0114 0.0144
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0114 0.0106
Echinococcus granulosus sodium:myo inositol cotransporter 0.0038 0.0381 0.0374
Toxoplasma gondii FAD binding domain-containing protein 0.0032 0.0297 0.2118
Mycobacterium ulcerans oxidoreductase 0.0032 0.0297 0.3217
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0694 0.0649
Brugia malayi Thioredoxin reductase 0.0084 0.1071 0.1764
Schistosoma mansoni thyroid hormone receptor 0.002 0.0114 0.0066
Brugia malayi Sodium:solute symporter family protein 0.0038 0.0381 0.0596
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0046 0.0498 0.6507
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0335 0.0328
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0711 0.0667
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0038 0.0381 0.0374
Echinococcus granulosus geminin 0.0164 0.2261 0.2255
Schistosoma mansoni ap endonuclease 0.0037 0.0364 0.0318
Onchocerca volvulus 0.0027 0.0213 0.0149
Schistosoma mansoni ap endonuclease 0.0037 0.0364 0.0318
Echinococcus multilocularis protein MICAL 3 0.0032 0.0297 0.029
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0114 0.0066
Loa Loa (eye worm) hypothetical protein 0.002 0.0114 0.0191
Onchocerca volvulus 0.0038 0.0381 0.0401
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0644
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0644
Echinococcus multilocularis musashi 0.0027 0.0213 0.0206
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0046 0.0498 1
Schistosoma mansoni lamin 0.0027 0.0213 0.0166
Trypanosoma brucei hypothetical protein, conserved 0.0046 0.0498 0.3542
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0089 0.0000000012669
Echinococcus multilocularis GPCR, family 2 0.0016 0.0048 0.0041
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0694 0.0687
Echinococcus multilocularis dna polymerase eta 0.0019 0.01 0.0093
Mycobacterium tuberculosis Conserved protein 0.0035 0.0335 0.0774
Plasmodium falciparum glutathione reductase 0.0029 0.0251 0.1648
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.01 0.0644
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0038 0.0381 0.0374
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0018 0.0089 0.0149
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0335 0.0774
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0251 0.1549
Schistosoma mansoni hypothetical protein 0.0105 0.1384 0.1343
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0694 0.0649
Loa Loa (eye worm) beta-lactamase 0.0035 0.0335 0.0564
Plasmodium vivax thioredoxin reductase, putative 0.0084 0.1071 1
Onchocerca volvulus 0.0163 0.2242 0.319
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0114 0.0106
Schistosoma mansoni DNA helicase recq5 0.0018 0.0089 0.0041
Schistosoma mansoni DNA helicase recq1 0.0018 0.0089 0.0041
Echinococcus granulosus FTZ F1 alpha 0.002 0.0114 0.0106
Echinococcus multilocularis conserved hypothetical protein 0.0337 0.4828 0.4824
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0644
Echinococcus multilocularis ubiquinone biosynthesis monooxygenase COQ6 0.0032 0.0297 0.029
Giardia lamblia NADH oxidase lateral transfer candidate 0.0029 0.0251 0.5875
Trichomonas vaginalis DNA helicase recq, putative 0.0045 0.0477 0.0564
Mycobacterium ulcerans lipase LipD 0.0035 0.0335 0.3841
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0114 0.0106
Plasmodium falciparum glutathione reductase 0.0084 0.1071 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0114 0.0191
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0193 0.2681 0.8503
Toxoplasma gondii exonuclease III APE 0.0037 0.0364 0.2804
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0114 0.0191
Echinococcus granulosus lamin dm0 0.0027 0.0213 0.0206
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0251 0.1549
Echinococcus granulosus ubiquinone biosynthesis monooxygenase COQ6 0.0032 0.0297 0.029
Echinococcus multilocularis microtubule associated protein 2 0.0685 1 1
Schistosoma mansoni sodium/solute symporter 0.0038 0.0381 0.0335
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0038 0.0381 0.0374
Mycobacterium leprae conserved hypothetical protein 0.0046 0.0498 0.0744
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0335 0.0288
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0564
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0364 0.0357
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0251 0.0225
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.0364 0.087
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0114 0.0106
Echinococcus granulosus solute carrier family 5 0.0038 0.0381 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0114 0.0144
Loa Loa (eye worm) hypothetical protein 0.0027 0.0213 0.0359
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0661 0.0655
Loa Loa (eye worm) hypothetical protein 0.0034 0.0318 0.0536
Entamoeba histolytica recQ family helicase, putative 0.0024 0.0169 0.1734
Echinococcus granulosus intermediate filament protein 0.0027 0.0213 0.0206
Trypanosoma brucei Monooxygenase, putative 0.0032 0.0297 0.2077
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0114 0.0144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0114 0.0191
Plasmodium falciparum thioredoxin reductase 0.0084 0.1071 1
Echinococcus granulosus sodium:glucose cotransporter 0.0038 0.0381 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0114 0.0144
Schistosoma mansoni hypothetical protein 0.0164 0.2261 0.2224
Brugia malayi beta-lactamase 0.0035 0.0335 0.0518
Loa Loa (eye worm) hypothetical protein 0.002 0.0114 0.0191
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0335 0.0774
Schistosoma mansoni lamin 0.0027 0.0213 0.0166
Trypanosoma brucei unspecified product 0.0019 0.01 0.0644
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0114 0.0106
Schistosoma mansoni nuclear hormone receptor 0.002 0.0114 0.0066
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0039 0.0397 0.3139
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0114 0.0106
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0021 0.0135 0.018
Plasmodium vivax SET domain protein, putative 0.0059 0.0694 0.54
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.01 0.0121
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0251 0.174
Echinococcus granulosus high affinity choline transporter 1 0.0345 0.4945 0.4942
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0335 0.0518
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0251 0.0243
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0251 0.174
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0046 0.0498 0.1311
Loa Loa (eye worm) hypothetical protein 0.0136 0.1844 0.3104
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0335 0.0774
Echinococcus granulosus thioredoxin glutathione reductase 0.0085 0.1079 0.1072
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0335 0.0774
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0114 0.0191
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0084 0.1071 0.32
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0335 0.0141
Schistosoma mansoni monoxygenase 0.0032 0.0297 0.025
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0114 0.0106
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0297 0.2025
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0711 0.0705
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0251 0.0225
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0048 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0114 0.0144
Brugia malayi GH02984p 0.0345 0.4945 0.8316
Schistosoma mansoni microtubule-associated protein tau 0.0685 1 1
Mycobacterium ulcerans hypothetical protein 0.0032 0.0297 0.3217
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0114 0.0106
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0711 0.2014
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0364 0.0395
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0364 1
Mycobacterium ulcerans FAD-linked oxidoreductase 0.0032 0.0297 0.3217
Trypanosoma cruzi trypanothione reductase, putative 0.0084 0.1071 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0169 0.071
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0114 0.0106
Mycobacterium tuberculosis Conserved protein 0.0035 0.0335 0.0774
Onchocerca volvulus 0.0035 0.0335 0.0332
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.01 0.0052
Brugia malayi beta-lactamase family protein 0.0035 0.0335 0.0518
Echinococcus multilocularis L aminoadipate semialdehyde 0.0163 0.2242 0.2237
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0114 0.0106
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0364 0.2568
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0297 0.0563
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0114 0.0144
Mycobacterium ulcerans hypothetical protein 0.0032 0.0297 0.3217
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0163 0.2242 0.2205
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0114 0.0144
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0038 0.0381 0.0374
Loa Loa (eye worm) hypothetical protein 0.0038 0.0381 0.0641
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0335 0.1027
Mycobacterium tuberculosis Possible oxidoreductase 0.0032 0.0297 0.0648
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0251 0.1549
Loa Loa (eye worm) hypothetical protein 0.0019 0.01 0.0168
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0564
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0251 0.1549
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0029 0.0251 0.1648
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0335 0.3841
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.01 0.0093
Mycobacterium ulcerans beta-lactamase 0.0035 0.0335 0.3841
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.3135 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0048 0.0033
Echinococcus multilocularis thioredoxin glutathione reductase 0.0085 0.1079 0.1072
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0335 0.2354
Leishmania major hypothetical protein, conserved 0.0035 0.0335 0.2417
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0711 0.6337
Loa Loa (eye worm) hypothetical protein 0.002 0.0114 0.0191
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0251 0.174
Mycobacterium tuberculosis Probable oxidoreductase 0.0032 0.0297 0.0648
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0046 0.0498 0.4164
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0711 0.6294
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0038 0.0381 0.2976
Trypanosoma brucei RNA helicase, putative 0.0105 0.1384 1
Echinococcus multilocularis bloom syndrome protein 0.0045 0.0477 0.0471
Schistosoma mansoni DNA polymerase eta 0.0019 0.01 0.0052
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0193 0.2681 0.8503
Schistosoma mansoni glucose-6-phosphatase 0.0339 0.486 0.4835
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0114 0.0144
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0551 0.0927
Echinococcus multilocularis dna polymerase kappa 0.0019 0.01 0.0093
Schistosoma mansoni inositol transporter 0.0038 0.0381 0.0335
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0335 0.0351
Leishmania major trypanothione reductase 0.0084 0.1071 1
Mycobacterium ulcerans membrane-associated oxidoreductase 0.0032 0.0297 0.3217
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 0.0644
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0251 0.174
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0364 0.4597
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0335 0.0351
Trichomonas vaginalis esterase, putative 0.0035 0.0335 0.0351
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0169 0.1146
Loa Loa (eye worm) hypothetical protein 0.0345 0.4945 0.8324
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0551 0.0884
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0335 0.2417
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0335 0.0774
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0114 0.0144
Mycobacterium ulcerans hypothetical protein 0.0035 0.0335 0.3841
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0114 0.0191
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0644
Schistosoma mansoni hypothetical protein 0.0032 0.0297 0.025
Schistosoma mansoni blooms syndrome DNA helicase 0.0035 0.0338 0.0292
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0114 0.0144
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.01 0.0121
Mycobacterium tuberculosis Conserved protein 0.0035 0.0335 0.0774
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0711 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0114 0.0144
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0551 0.0884
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0564
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.0499
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0335 0.0774
Echinococcus granulosus protein MICAL 3 0.0032 0.0297 0.029
Echinococcus multilocularis lamin 0.0027 0.0213 0.0206
Onchocerca volvulus 0.0469 0.6787 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0018 0.0089 0.0081
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0335 0.3841
Mycobacterium ulcerans oxidoreductase GMC-type 0.0032 0.0297 0.3217
Echinococcus multilocularis conserved hypothetical protein 0.0337 0.4828 0.4824
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0114 0.0106
Trichomonas vaginalis DNA helicase recq1, putative 0.0045 0.0477 0.0564
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0564
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0251 0.1549
Loa Loa (eye worm) hypothetical protein 0.0018 0.0089 0.0149
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0114 0.0144
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0018 0.0089 0.0081
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.01 0.0052
Mycobacterium tuberculosis Probable dehydrogenase 0.0193 0.2681 0.8503
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0335 0.0564
Mycobacterium ulcerans FAD-dependent oxidoreductase 0.0032 0.0297 0.3217
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0214 0.3 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 17 uM Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes. ChEMBL. 11514161
IC50 (binding) = 17 uM Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes. ChEMBL. 11514161

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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