Detailed information for compound 1517752

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 380.48 | Formula: C23H28N2O3
  • H donors: 0 H acceptors: 1 LogP: 4.76 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCCOc1cc(OC)ccc1c1onc(c1)c1ccccc1)CC
  • InChi: 1S/C23H28N2O3/c1-4-25(5-2)14-9-15-27-22-16-19(26-3)12-13-20(22)23-17-21(24-28-23)18-10-7-6-8-11-18/h6-8,10-13,16-17H,4-5,9,14-15H2,1-3H3
  • InChiKey: ZXQDXHQZGYXMKW-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
Trypanosoma cruzi trypanothione reductase, putative 0.0076 0.1602 0.4377
Loa Loa (eye worm) hypothetical protein 0.0057 0.1134 0.3179
Toxoplasma gondii hypothetical protein 0.0012 0.0072 0.0049
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0076 0.1602 0.4377
Trypanosoma cruzi NADH dehydrogenase, putative 0.002 0.0262 0.0543
Plasmodium falciparum DNA gyrase subunit B 0.0081 0.1722 0.4721
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0076 0.1602 0.4448
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0321 0.0321
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0076 0.1602 0.4377
Echinococcus multilocularis dna polymerase eta 0.0015 0.014 0.014
Brugia malayi Thioredoxin reductase 0.0158 0.3567 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0192 0.0466
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0496 0.139
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0804 0.2095
Trichomonas vaginalis glutamate synthase, putative 0.002 0.0262 0.0591
Brugia malayi hypothetical protein 0.0023 0.0321 0.0712
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.002 0.0262 0.0262
Plasmodium falciparum ferrodoxin reductase-like protein 0.002 0.0262 0.0543
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0012 0.0072 0.0049
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0015 0.014 0.0068
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0321 0.0712
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.002 0.0262 0.0543
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.003 0.0495 0.121
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0248 0.0503
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0081 0.1722 0.4746
Loa Loa (eye worm) hypothetical protein 0.0023 0.0321 0.09
Trichomonas vaginalis mercuric reductase, putative 0.0076 0.1602 0.4757
Trypanosoma brucei DNA polymerase eta, putative 0.0015 0.014 0.0317
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.0321 0.0795
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0262 0.0663
Entamoeba histolytica glutamate synthase beta subunit, putative 0.002 0.0262 0.0591
Toxoplasma gondii DNA topoisomerase 2, putative 0.0139 0.3112 0.8704
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0305 0.0665
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0076 0.1602 0.4377
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.002 0.0262 0.0543
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0321 0.0251
Trypanosoma brucei DNA topoisomerase ii 0.0156 0.352 0.9867
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.002 0.0262 0.0543
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0248 0.0695
Treponema pallidum NADH oxidase 0.0076 0.1602 0.9184
Leishmania major hypothetical protein, conserved 0.002 0.0262 0.0543
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.002 0.0262 0.0589
Plasmodium vivax unspecified product 0.0146 0.3287 0.92
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.002 0.0262 0.0591
Trypanosoma brucei RNA helicase, putative 0.0148 0.3313 0.9282
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0081 0.1722 1
Schistosoma mansoni DNA polymerase eta 0.0015 0.014 0.0068
Echinococcus multilocularis carboxylesterase 5A 0.0134 0.2992 0.2992
Toxoplasma gondii phospholipase 0.0012 0.0072 0.0049
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.1602 0.4377
Schistosoma mansoni acetylcholinesterase 0.0023 0.0321 0.0251
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.002 0.0262 0.0589
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0202
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0321 0.0712
Trypanosoma brucei trypanothione reductase 0.0158 0.3567 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0804 0.2195
Brugia malayi polk-prov protein 0.0032 0.0555 0.1381
Chlamydia trachomatis DNA gyrase subunit A 0.003 0.0495 0.2563
Trichomonas vaginalis DNA topoisomerase II, putative 0.0139 0.3112 0.9453
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0143 0.3203 0.9739
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0262 0.0663
Onchocerca volvulus 0.0023 0.0321 0.0333
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.002 0.0262 0.0262
Loa Loa (eye worm) carboxylesterase 0.0023 0.0321 0.09
Echinococcus multilocularis acetylcholinesterase 0.0134 0.2992 0.2992
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.002 0.0262 0.0543
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0321 0.0251
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.002 0.0262 0.0262
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0555 0.149
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0804 0.2195
Loa Loa (eye worm) carboxylesterase 0.0023 0.0321 0.09
Echinococcus granulosus sulfide:quinone oxidoreductase 0.002 0.0262 0.0262
Plasmodium vivax lysophospholipase, putative 0.0146 0.3287 0.92
Giardia lamblia DNA topoisomerase II 0.0132 0.2938 1
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.002 0.0262 0.0095
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0248 0.0248
Schistosoma mansoni gliotactin 0.0023 0.0321 0.0251
Loa Loa (eye worm) hypothetical protein 0.0023 0.0321 0.09
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.002 0.0262 0.0543
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0202
Leishmania major DNA polymerase kappa, putative 0.0022 0.0305 0.0665
Loa Loa (eye worm) hypothetical protein 0.0019 0.0236 0.0662
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0076 0.1602 0.4448
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0076 0.1602 0.4377
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.002 0.0262 0.0543
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0076 0.1602 0.9271
Echinococcus multilocularis cpg binding protein 0.0032 0.0537 0.0537
Leishmania major mitochondrial DNA topoisomerase II 0.0156 0.352 0.9865
Mycobacterium ulcerans hypothetical protein 0.002 0.0262 0.0606
Mycobacterium ulcerans hypothetical protein 0.0143 0.3203 1
Loa Loa (eye worm) TOPoisomerase family member 0.0139 0.3112 0.8724
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.014 0.014
Entamoeba histolytica deoxycytidyl transferase, putative 0.0015 0.014 0.021
Echinococcus granulosus thioredoxin glutathione reductase 0.0158 0.3567 0.3567
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0134 0.2992 0.2941
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.002 0.0262 0.0543
Trichomonas vaginalis glutathione reductase, putative 0.0076 0.1602 0.4757
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0094 0.2031 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0305 0.0665
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0321 0.0321
Loa Loa (eye worm) glutathione reductase 0.0158 0.3567 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.002 0.0262 0.0591
Echinococcus multilocularis glutamate synthase 0.002 0.0262 0.0262
Plasmodium falciparum glutathione reductase 0.0158 0.3567 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0139 0.3112 0.3112
Trichomonas vaginalis DNA polymerase eta, putative 0.0043 0.0804 0.2277
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0321 0.0251
Schistosoma mansoni cpg binding protein 0.003 0.0496 0.0427
Trypanosoma cruzi DNA topoisomerase II, putative 0.0132 0.2932 0.8183
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0262 0.0543
Mycobacterium ulcerans DNA gyrase subunit B 0.0081 0.1722 0.5269
Plasmodium falciparum esterase, putative 0.0146 0.3287 0.92
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.002 0.0262 0.0262
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.002 0.0262 0.0663
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0139 0.3112 0.8697
Mycobacterium tuberculosis Possible lysophospholipase 0.0143 0.3203 0.896
Schistosoma mansoni sulfide quinone reductase 0.002 0.0262 0.0191
Trypanosoma cruzi DNA polymerase eta, putative 0.0015 0.014 0.0193
Giardia lamblia Glutamate synthase 0.002 0.0262 0.0663
Mycobacterium tuberculosis Conserved hypothetical protein 0.0015 0.014 0.0193
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0156 0.352 0.9865
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0321 0.0321
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0076 0.1602 0.9184
Trypanosoma brucei unspecified product 0.0036 0.0639 0.1729
Onchocerca volvulus 0.0023 0.0321 0.0333
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.002 0.0262 0.0543
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0146 0.3287 1
Plasmodium falciparum thioredoxin reductase 0.0158 0.3567 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0158 0.3567 0.3567
Mycobacterium ulcerans dehydrogenase 0.002 0.0262 0.0606
Loa Loa (eye worm) hypothetical protein 0.0023 0.0321 0.09
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0321 0.0251
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0076 0.1602 0.4377
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.0321 0.0774
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0143 0.3203 0.9739
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0076 0.1602 0.1602
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0321 0.0321
Brugia malayi Carboxylesterase family protein 0.0134 0.2992 0.8354
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.002 0.0262 0.0543
Plasmodium vivax DNA topoisomerase II, putative 0.0139 0.3112 0.8697
Plasmodium falciparum lysophospholipase, putative 0.0143 0.3203 0.896
Trypanosoma brucei hypothetical protein, conserved 0.002 0.0262 0.0663
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.0321 0.0774
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0804 0.2338
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.002 0.0262 0.0663
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.002 0.0262 0.0606
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.002 0.0262 0.0262
Plasmodium falciparum lysophospholipase, putative 0.0146 0.3287 0.92
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0012 0.0072 0.0072
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.002 0.0262 0.0262
Toxoplasma gondii NADPH-glutathione reductase 0.0076 0.1602 0.4404
Trichomonas vaginalis conserved hypothetical protein 0.0143 0.3203 0.9739
Trichomonas vaginalis conserved hypothetical protein 0.0146 0.3287 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.003 0.0495 0.1676
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0248 0.0503
Loa Loa (eye worm) hypothetical protein 0.0019 0.0236 0.0662
Loa Loa (eye worm) hypothetical protein 0.0094 0.2034 0.5702
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0192 0.0466
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.002 0.0262 0.0591
Mycobacterium tuberculosis Putative ferredoxin reductase 0.002 0.0262 0.0543
Plasmodium vivax ferrodoxin reductase, putative 0.002 0.0262 0.0543
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.002 0.0262 0.0262
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.1602 0.4377
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0262 0.0543
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0056 0.1118 0.2992
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0804 0.2195
Echinococcus multilocularis dnaJ subfamily B 0.0427 1 1
Schistosoma mansoni disulfide oxidoreductase 0.002 0.0262 0.0191
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0094 0.2031 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.014 0.0392
Schistosoma mansoni glutamate synthase 0.002 0.0262 0.0191
Plasmodium vivax DNA gyrase subunit B, putative 0.0081 0.1722 0.4721
Echinococcus granulosus acetylcholinesterase 0.0134 0.2992 0.2992
Loa Loa (eye worm) carboxylesterase 0.0134 0.2992 0.8387
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0262 0.0591
Plasmodium vivax glutathione reductase, putative 0.0158 0.3567 1
Plasmodium falciparum DNA topoisomerase 2 0.0139 0.3112 0.8697
Echinococcus granulosus abhydrolase domain containing 3 0.0012 0.0072 0.0072
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.002 0.0262 0.0663
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0076 0.1602 0.1602
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.002 0.0262 0.0543
Loa Loa (eye worm) hypothetical protein 0.0094 0.2034 0.5702
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0076 0.1602 0.4448
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.002 0.0262 0.0543
Loa Loa (eye worm) thioredoxin reductase 0.0158 0.3567 1
Toxoplasma gondii protein c14orf29, putative 0.0012 0.0072 0.0049
Chlamydia trachomatis DNA gyrase subunit A 0.003 0.0495 0.2563
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0076 0.1602 0.4377
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0076 0.1602 0.4377
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0804 0.2195
Trichomonas vaginalis apoptosis inducing factor, putative 0.002 0.0262 0.0591
Trypanosoma brucei NADH dehydrogenase 0.002 0.0262 0.0663
Trypanosoma brucei monoglyceride lipase, putative 0.0143 0.3203 0.8973
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0248 0.0623
Brugia malayi glutamate synthase 0.002 0.0262 0.0543
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0248 0.0503
Schistosoma mansoni ap endonuclease 0.002 0.0248 0.0177
Giardia lamblia Thioredoxin reductase 0.002 0.0262 0.0663
Echinococcus multilocularis Phospholipase carboxylesterase 0.0012 0.0072 0.0072
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.002 0.0262 0.0543
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.002 0.0262 0.0262
Echinococcus multilocularis dna polymerase kappa 0.0043 0.0804 0.0804
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0132 0.2932 0.8206
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.002 0.0262 0.0543
Toxoplasma gondii hypothetical protein 0.0146 0.3287 0.9204
Toxoplasma gondii thioredoxin reductase 0.0158 0.3567 1
Brugia malayi Probable DNA topoisomerase II 0.0139 0.3112 0.8697
Loa Loa (eye worm) acetylcholinesterase 1 0.0134 0.2992 0.8387
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0321 0.0251
Schistosoma mansoni hypothetical protein 0.0148 0.3313 0.3264
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0262 0.0591
Brugia malayi Carboxylesterase family protein 0.0023 0.0321 0.0712
Loa Loa (eye worm) hypothetical protein 0.002 0.0262 0.0735
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0262 0.0591
Leishmania major trypanothione reductase 0.0158 0.3567 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0143 0.3203 0.9739
Entamoeba histolytica glutamate synthase beta subunit, putative 0.002 0.0262 0.0591
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0056 0.1118 0.2992
Loa Loa (eye worm) hypothetical protein 0.0023 0.0321 0.09
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0248 0.0562
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0012 0.0072 0.0126
Mycobacterium ulcerans ferredoxin reductase 0.002 0.0262 0.0606
Toxoplasma gondii exonuclease III APE 0.002 0.0248 0.0549
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.002 0.0262 0.0606
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.002 0.0262 0.0589
Mycobacterium ulcerans glutamate synthase subunit beta 0.002 0.0262 0.0606
Chlamydia trachomatis DNA gyrase subunit B 0.0081 0.1722 1
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.014 0.0193
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0076 0.1602 0.4377
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.13 0.1237
Trypanosoma brucei monoglyceride lipase, putative 0.0143 0.3203 0.8973
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.002 0.0262 0.0543
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0132 0.2932 0.8206
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0804 0.2095
Onchocerca volvulus 0.0023 0.0321 0.0333
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0139 0.3112 0.8697
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.002 0.0262 0.0095
Echinococcus granulosus neuroligin 0.0023 0.0321 0.0321
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0076 0.1602 0.4377
Plasmodium vivax DNA gyrase subunit A, putative 0.003 0.0495 0.121
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.1602 0.4377
Plasmodium falciparum esterase, putative 0.0143 0.3203 0.896
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0076 0.1602 0.4448
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0202
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.0321 0.0712
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0305 0.0783
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0012 0.0072 0.0049
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0143 0.3203 0.9739
Loa Loa (eye worm) hypothetical protein 0.0134 0.2992 0.8387
Brugia malayi glutathione reductase 0.0158 0.3567 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.002 0.0262 0.0543
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.002 0.0262 0.0591
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.002 0.0262 0.0606
Plasmodium vivax PST-A protein 0.0143 0.3203 0.896
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0248 0.0503
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0248 0.0248
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.1602 0.4377
Mycobacterium ulcerans NADH dehydrogenase 0.002 0.0262 0.0606
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.002 0.0262 0.0543
Schistosoma mansoni glutamate synthase 0.002 0.0262 0.0191
Plasmodium falciparum lysophospholipase, putative 0.0143 0.3203 0.896
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.002 0.0262 0.0095
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.014 0.0068
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0143 0.3203 0.9739
Chlamydia trachomatis DNA gyrase subunit B 0.0064 0.1314 0.7526
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0081 0.1722 1
Toxoplasma gondii hypothetical protein 0.0012 0.0072 0.0049
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0094 0.2031 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0076 0.1602 0.5337
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0248 0.0503
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0081 0.1722 0.4721
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.002 0.0262 0.0589
Leishmania major DNA topoisomerase ii 0.0132 0.2932 0.8183
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0036 0.0644 0.1299
Loa Loa (eye worm) hypothetical protein 0.0023 0.0321 0.09
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.002 0.0262 0.0543
Plasmodium falciparum esterase, putative 0.0146 0.3287 0.92
Echinococcus granulosus glutamate synthase 0.002 0.0262 0.0262
Mycobacterium ulcerans DNA gyrase subunit A 0.003 0.0495 0.135
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0012 0.0072 0.0126
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0262 0.0591
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.1602 0.4377
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0076 0.1602 0.4377
Schistosoma mansoni DNA topoisomerase II 0.0139 0.3112 0.3061
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0156 0.352 0.9865
Mycobacterium tuberculosis Probable oxidoreductase 0.0076 0.1602 0.4377
Entamoeba histolytica DNA topoisomerase II, putative 0.0139 0.3112 0.9453
Entamoeba histolytica disulphide oxidoreductase, putative 0.002 0.0262 0.0591
Echinococcus multilocularis abhydrolase domain containing 3 0.0012 0.0072 0.0072
Schistosoma mansoni ap endonuclease 0.002 0.0248 0.0177
Mycobacterium tuberculosis Probable dehydrogenase 0.002 0.0262 0.0543
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0804 0.2195
Toxoplasma gondii peptidase S15, putative 0.0012 0.0072 0.0049
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0321 0.0321
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0139 0.3112 0.3112
Entamoeba histolytica thioredoxin reductase, putative 0.002 0.0262 0.0591
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0012 0.0072 0.0126
Brugia malayi Carboxylesterase family protein 0.0023 0.0321 0.0712
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0248 0.0503
Mycobacterium tuberculosis Probable reductase 0.002 0.0262 0.0543
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0076 0.1602 0.4377
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0804 0.2095
Trypanosoma cruzi monoglyceride lipase, putative 0.0143 0.3203 0.896
Echinococcus granulosus Phospholipase carboxylesterase 0.0012 0.0072 0.0072
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.0639 0.1729
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0262 0.0543
Loa Loa (eye worm) hypothetical protein 0.0015 0.014 0.0392
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0076 0.1602 0.4885
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.002 0.0262 0.0262
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0804 0.2195
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0202
Schistosoma mansoni cpg binding protein 0.0032 0.0537 0.0468
Chlamydia trachomatis thioredoxin reductase 0.002 0.0262 0.1151
Leishmania major monoglyceride lipase, putative 0.0143 0.3203 0.896
Mycobacterium ulcerans monoxygenase 0.002 0.0262 0.0606
Giardia lamblia DINP protein human, muc B family 0.0022 0.0305 0.0811
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.003 0.0495 0.1676
Brugia malayi Carboxylesterase family protein 0.0134 0.2992 0.8354
Loa Loa (eye worm) hypothetical protein 0.0019 0.0236 0.0662
Plasmodium falciparum DNA gyrase subunit A 0.003 0.0495 0.121
Echinococcus multilocularis neuroligin 0.0023 0.0321 0.0321
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0076 0.1602 0.4377
Onchocerca volvulus 0.003 0.0496 0.1321
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0262 0.0591
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0248 0.0547
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.002 0.0262 0.0543
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0192 0.0466
Plasmodium falciparum thioredoxin reductase 0.0076 0.1602 0.4377
Loa Loa (eye worm) hypothetical protein 0.0057 0.1134 0.3179
Leishmania major hypothetical protein, conserved 0.002 0.0262 0.0543
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0804 0.2195
Schistosoma mansoni sulfide quinone reductase 0.002 0.0262 0.0191
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0076 0.1602 0.4555
Plasmodium falciparum glutathione reductase 0.0076 0.1602 0.4377
Echinococcus granulosus dna polymerase kappa 0.0043 0.0804 0.0804
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0076 0.1602 0.1541
Brugia malayi CXXC zinc finger family protein 0.003 0.0496 0.1212
Plasmodium vivax thioredoxin reductase, putative 0.0158 0.3567 1
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.002 0.0262 0.0262
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.002 0.0262 0.0606
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0076 0.1602 0.4377
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.002 0.0262 0.0543
Trichomonas vaginalis glutamate synthase, putative 0.002 0.0262 0.0591
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0202
Echinococcus granulosus dna polymerase eta 0.0015 0.014 0.014
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0804 0.2195
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0321 0.0321
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0262 0.0543
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.002 0.0262 0.0591
Toxoplasma gondii phospholipase/carboxylesterase 0.0012 0.0072 0.0049
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0248 0.0503
Plasmodium falciparum lysophospholipase, putative 0.0143 0.3203 0.896
Brugia malayi Carboxylesterase family protein 0.0023 0.0321 0.0712
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0262 0.0591
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0076 0.1602 0.9184
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0804 0.2338
Leishmania major NADH dehydrogenase, putative 0.002 0.0262 0.0543
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.002 0.0262 0.0606
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0012 0.0072 0.0072
Trypanosoma cruzi DNA topoisomerase II, putative 0.0132 0.2932 0.8183
Leishmania major hypothetical protein, conserved 0.002 0.0262 0.0543
Schistosoma mansoni hypothetical protein 0.0427 1 1
Echinococcus granulosus carboxylesterase 5A 0.0134 0.2992 0.2992
Loa Loa (eye worm) programmed cell death 8 0.002 0.0262 0.0735
Mycobacterium ulcerans lysophospholipase 0.0143 0.3203 1
Trypanosoma cruzi NADH dehydrogenase, putative 0.002 0.0262 0.0543
Loa Loa (eye worm) hypothetical protein 0.0032 0.0555 0.1555
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0248 0.0547
Toxoplasma gondii selenide, water dikinase 0.002 0.0262 0.0589
Leishmania major DNA polymerase eta, putative 0.0015 0.014 0.0193
Echinococcus multilocularis acetylcholinesterase 0.0134 0.2992 0.2992
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0012 0.0072 0.0049
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.014 0.014
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0804 0.2195
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0804 0.2195
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.002 0.0262 0.0589
Toxoplasma gondii hypothetical protein 0.0012 0.0072 0.0049
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.003 0.0495 0.1253
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.002 0.0262 0.0591
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0555 0.149
Schistosoma mansoni hypothetical protein 0.002 0.0262 0.0191
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0076 0.1602 0.4885
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.014 0.0193
Echinococcus granulosus acetylcholinesterase 0.0134 0.2992 0.2992
Onchocerca volvulus 0.0023 0.0321 0.0333
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0076 0.1602 0.4404
Echinococcus granulosus cpg binding protein 0.0032 0.0537 0.0537
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0143 0.3203 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0143 0.3203 0.9739
Schistosoma mansoni glutamate synthase 0.002 0.0262 0.0191
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0248 0.0547
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.002 0.0262 0.0606
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0248 0.0614
Trypanosoma cruzi trypanothione reductase, putative 0.0158 0.3567 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0158 0.3567 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0043 0.0804 0.2277
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.002 0.0262 0.0591
Loa Loa (eye worm) hypothetical protein 0.0023 0.0321 0.09
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0143 0.3203 0.9739
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.1602 0.4377
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.1138 0.3083
Loa Loa (eye worm) hypothetical protein 0.0134 0.2992 0.8387
Echinococcus granulosus abhydrolase domain containing protein 13 0.0012 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0023 0.0321 0.09
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.002 0.0262 0.0735
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0143 0.3203 0.9739
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0076 0.1602 0.4885
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.002 0.0262 0.0262
Trichomonas vaginalis conserved hypothetical protein 0.0143 0.3203 0.9739
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.002 0.0262 0.0606
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0804 0.2095
Treponema pallidum oxidoreductase 0.002 0.0262 0.0095
Schistosoma mansoni cpg binding protein 0.0032 0.0537 0.0468
Brugia malayi Carboxylesterase family protein 0.0023 0.0321 0.0712
Onchocerca volvulus 0.0023 0.0321 0.0333
Treponema pallidum thioredoxin reductase (trxB) 0.002 0.0262 0.0095
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.002 0.0262 0.0543
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.002 0.0262 0.0543
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0076 0.1602 0.4377
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0804 0.2195

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 28.03 uM Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein method ChEMBL. 19500993
IC50 (binding) = 28.16 uM Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Goldstein method ChEMBL. 19500993
Inhibition (binding) = 21.8 % Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate by modified Goldstein method ChEMBL. 19500993

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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