Detailed information for compound 1118629

Basic information

Technical information
  • TDR Targets ID: 1118629
  • Name: [2-(tert-butyl-(phenylmethyl)amino)-2-oxoethy l] 5-methylpyrazine-2-carboxylate
  • MW: 341.404 | Formula: C19H23N3O3
  • H donors: 0 H acceptors: 4 LogP: 2.38 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C(C)(C)C)Cc1ccccc1)COC(=O)c1cnc(cn1)C
  • InChi: 1S/C19H23N3O3/c1-14-10-21-16(11-20-14)18(24)25-13-17(23)22(19(2,3)4)12-15-8-6-5-7-9-15/h5-11H,12-13H2,1-4H3
  • InChiKey: AOIADSOLFPSLTN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(tert-butyl-(phenylmethyl)amino)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate
  • 5-methyl-2-pyrazinecarboxylic acid [2-(tert-butyl-(phenylmethyl)amino)-2-oxoethyl] ester
  • 5-methylpyrazinic acid [2-(benzyl-tert-butyl-amino)-2-keto-ethyl] ester
  • T0516-4594
  • ZINC03246721

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Loa Loa (eye worm) hypothetical protein 0.0062 0.0304 0.0543
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0965 0.4721
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0062 0.0304 0.048
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0052 0.5
Brugia malayi MH2 domain containing protein 0.0042 0.0115 0.0205
Echinococcus granulosus TGF beta signal transducer SmadC 0.0042 0.0115 0.0115
Echinococcus multilocularis Smad4 0.0042 0.0115 0.0115
Echinococcus multilocularis para nitrobenzyl esterase 0.0062 0.0304 0.0304
Echinococcus multilocularis thyroid hormone receptor alpha 0.0146 0.1108 0.1108
Plasmodium vivax glutathione reductase, putative 0.0051 0.0198 0.5192
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0042 0.0115 0.0182
Loa Loa (eye worm) acetylcholinesterase 1 0.0367 0.3209 0.5724
Schistosoma mansoni smad 0.0042 0.0115 0.0182
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0382 0.1709
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0235 0.1953 0.1953
Schistosoma mansoni caspase-3 (C14 family) 0.0235 0.1953 0.3084
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.0965 1
Echinococcus granulosus microtubule associated protein 2 0.0694 0.6334 0.6334
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0042 0.0115 0.0115
Trypanosoma cruzi metacaspase 5, putative 0.007 0.0382 0.2398
Echinococcus multilocularis caspase 8 0.007 0.0382 0.0382
Loa Loa (eye worm) carboxylesterase 0.0062 0.0304 0.0543
Echinococcus multilocularis caspase 2 0.0093 0.0604 0.0604
Loa Loa (eye worm) hypothetical protein 0.0305 0.2617 0.4668
Loa Loa (eye worm) carboxylesterase 0.0062 0.0304 0.0543
Loa Loa (eye worm) hypothetical protein 0.0305 0.2617 0.4668
Echinococcus multilocularis mothers against decapentaplegic 5 0.0042 0.0115 0.0115
Schistosoma mansoni hypothetical protein 0.0066 0.034 0.0537
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0382 0.1709
Brugia malayi MH1 domain containing protein 0.0042 0.0115 0.0205
Schistosoma mansoni hypothetical protein 0.0066 0.034 0.0537
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.007 0.0382 0.1709
Trichomonas vaginalis spcc417.12 protein, putative 0.0062 0.0304 0.1306
Onchocerca volvulus 0.0062 0.0304 0.1532
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.007 0.0382 0.1709
Plasmodium vivax metacaspase 1, putative 0.007 0.0382 1
Echinococcus multilocularis tumor protein p63 0.1079 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0304 0.0543
Plasmodium falciparum metacaspase-like protein 0.007 0.0382 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.034 0.0607
Echinococcus multilocularis microtubule associated protein 2 0.0694 0.6334 0.6334
Plasmodium falciparum metacaspase 1 0.007 0.0382 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0965 0.4721
Schistosoma mansoni smad1 5 8 and 0.0042 0.0115 0.0182
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.007 0.0382 0.1709
Echinococcus granulosus caspase 2 0.0093 0.0604 0.0604
Echinococcus multilocularis caspase 3 0.0165 0.1285 0.1285
Brugia malayi Carboxylesterase family protein 0.0367 0.3209 0.5724
Echinococcus multilocularis acetylcholinesterase 0.0367 0.3209 0.3209
Trypanosoma cruzi metacaspase, putative 0.007 0.0382 0.2398
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0198 0.0354
Loa Loa (eye worm) phosphofructokinase 0.0131 0.0965 0.1721
Onchocerca volvulus 0.0062 0.0304 0.1532
Onchocerca volvulus Cell death protein 3 homolog 0.0093 0.0604 0.304
Echinococcus granulosus Smad4 0.0042 0.0115 0.0115
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.007 0.0382 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0042 0.0115 0.0205
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0965 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.034 0.034
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.007 0.0382 0.1709
Echinococcus multilocularis acetylcholinesterase 0.0367 0.3209 0.3209
Loa Loa (eye worm) MH2 domain-containing protein 0.0618 0.5607 1
Echinococcus multilocularis neuroligin 0.0062 0.0304 0.0304
Echinococcus granulosus mothers against decapentaplegic 5 0.0042 0.0115 0.0115
Trypanosoma brucei metacaspase MCA3 0.007 0.0382 0.2398
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0062 0.0304 0.1306
Echinococcus granulosus carboxylesterase 5A 0.0367 0.3209 0.3209
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.0965 0.0965
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.0819 0.8103
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0052 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0142 0.1068 0.1904
Trypanosoma brucei Metacaspase-4 0.007 0.0382 0.2398
Trypanosoma brucei metacaspase MCA2 0.007 0.0382 0.2398
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0062 0.0304 0.1381
Echinococcus multilocularis BC026374 protein (S09 family) 0.0062 0.0304 0.0304
Schistosoma mansoni hypothetical protein 0.0066 0.034 0.0537
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.0943 0.8485
Echinococcus granulosus neuroligin 0.0062 0.0304 0.0304
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0208 0.1694 0.3022
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0965 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0062 0.0304 0.048
Brugia malayi Carboxylesterase family protein 0.0062 0.0304 0.0543
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.007 0.0382 0.1709
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.171 0.305
Schistosoma mansoni smad1 5 8 and 0.0042 0.0115 0.0182
Brugia malayi Carboxylesterase family protein 0.0062 0.0304 0.0543
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.034 0.0607
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.0943 0.9713
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0965 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0062 0.0304 0.1381
Onchocerca volvulus 0.0062 0.0304 0.1532
Echinococcus granulosus acetylcholinesterase 0.0367 0.3209 0.3209
Echinococcus granulosus smad 0.0042 0.0115 0.0115
Echinococcus granulosus caspase 8 0.007 0.0382 0.0382
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.0943 0.9713
Trypanosoma cruzi metacaspase, putative 0.007 0.0382 0.2398
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.0819 0.8103
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.007 0.0382 0.1709
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0965 1
Leishmania major metacaspase, putative 0.007 0.0382 0.2398
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0208 0.1694 0.3022
Toxoplasma gondii thioredoxin reductase 0.0051 0.0198 0.5192
Trypanosoma cruzi metacaspase, putative 0.007 0.0382 0.2398
Schistosoma mansoni acetylcholinesterase 0.0062 0.0304 0.048
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.0965 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.1068 0.1904
Brugia malayi MH1 domain containing protein 0.0042 0.0115 0.0205
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0052 0.1352
Echinococcus multilocularis carboxylesterase 5A 0.0367 0.3209 0.3209
Echinococcus granulosus acetylcholinesterase 0.0367 0.3209 0.3209
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.0965 0.0965
Loa Loa (eye worm) Smad1 0.0042 0.0115 0.0205
Brugia malayi glutathione reductase 0.0051 0.0198 0.0354
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0382 0.1709
Loa Loa (eye worm) hypothetical protein 0.0367 0.3209 0.5724
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0965 0.4721
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0062 0.0304 0.0304
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.0819 0.8103
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0062 0.0304 0.1381
Echinococcus granulosus GPCR family 2 0.0066 0.034 0.034
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.0819 0.8103
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0198 0.5192
Loa Loa (eye worm) hypothetical protein 0.0208 0.1694 0.3022
Echinococcus granulosus para nitrobenzyl esterase 0.0062 0.0304 0.0304
Loa Loa (eye worm) hypothetical protein 0.0062 0.0304 0.0543
Trypanosoma cruzi metacaspase 5, putative 0.007 0.0382 0.2398
Brugia malayi Carboxylesterase family protein 0.0367 0.3209 0.5724
Loa Loa (eye worm) MH1 domain-containing protein 0.0042 0.0115 0.0205
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.0965 1
Onchocerca volvulus 0.0062 0.0304 0.1532
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.007 0.0382 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0235 0.1953 0.1953
Echinococcus granulosus caspase 0.0235 0.1953 0.1953
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0965 0.4721
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.034 0.034
Brugia malayi MH2 domain containing protein 0.0618 0.5607 1
Onchocerca volvulus 0.0158 0.1219 0.6139
Loa Loa (eye worm) hypothetical protein 0.0093 0.0604 0.1077
Schistosoma mansoni caspase-7 (C14 family) 0.0235 0.1953 0.3084
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.0965 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.007 0.0382 0.1709
Loa Loa (eye worm) transcription factor SMAD2 0.0618 0.5607 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0052 0.1352
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0052 0.1352
Brugia malayi Smad1 0.0042 0.0115 0.0205
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.034 0.034
Brugia malayi Cell death protein 3 precursor 0.0093 0.0604 0.1077
Loa Loa (eye worm) hypothetical protein 0.0062 0.0304 0.0543
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.007 0.0382 0.0682
Schistosoma mansoni thyroid hormone receptor 0.0146 0.1108 0.1749
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.007 0.0382 0.1709
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.034 0.034
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.007 0.0382 1
Echinococcus multilocularis GPCR, family 2 0.0066 0.034 0.034
Trypanosoma brucei metacaspase 5, putative 0.007 0.0382 0.2398
Loa Loa (eye worm) hypothetical protein 0.0158 0.1219 0.2175
Echinococcus granulosus BC026374 protein S09 family 0.0062 0.0304 0.0304
Schistosoma mansoni thyroid hormone receptor 0.0146 0.1108 0.1749
Plasmodium falciparum glutathione reductase 0.0051 0.0198 0.444
Brugia malayi MH2 domain containing protein 0.0042 0.0115 0.0205
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0052 0.5
Echinococcus multilocularis smad 0.0042 0.0115 0.0115
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.007 0.0382 0.1709
Loa Loa (eye worm) hypothetical protein 0.0066 0.034 0.0607
Mycobacterium tuberculosis Probable reductase 0.0116 0.0819 0.8103
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0052 0.1352
Trypanosoma brucei metacaspase 0.007 0.0382 0.2398
Schistosoma mansoni cellular tumor antigen P53 0.0158 0.1219 0.1925
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0135 0.1004 0.1004
Plasmodium vivax hypothetical protein, conserved 0.007 0.0382 1
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0382 0.1709
Echinococcus multilocularis caspase 0.0235 0.1953 0.1953
Brugia malayi Carboxylesterase family protein 0.0062 0.0304 0.0543
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.0819 0.8103
Brugia malayi 6-phosphofructokinase 0.0131 0.0965 0.1721
Schistosoma mansoni caspase-7 (C14 family) 0.0093 0.0604 0.0953
Onchocerca volvulus 0.0238 0.1986 1
Plasmodium falciparum thioredoxin reductase 0.0051 0.0198 0.444
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0382 0.1709
Brugia malayi 6-phosphofructokinase 0.0131 0.0965 0.1721
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0062 0.0304 0.048
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0965 0.1523
Loa Loa (eye worm) hypothetical protein 0.007 0.0382 0.0682
Loa Loa (eye worm) hypothetical protein 0.0062 0.0304 0.0543
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.007 0.0382 0.0603
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0135 0.1004 0.1004
Schistosoma mansoni Smad4 0.0042 0.0115 0.0182
Schistosoma mansoni hypothetical protein 0.0066 0.034 0.0537
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0052 0.1352
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0367 0.3209 0.5067
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.0943 0.9713
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.0965 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0062 0.0304 0.048
Schistosoma mansoni microtubule-associated protein tau 0.0694 0.6334 1
Brugia malayi Carboxylesterase family protein 0.0062 0.0304 0.0543
Brugia malayi Thioredoxin reductase 0.0051 0.0198 0.0354
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0062 0.0304 0.0304
Loa Loa (eye worm) glutathione reductase 0.0051 0.0198 0.0354
Schistosoma mansoni gliotactin 0.0062 0.0304 0.048
Loa Loa (eye worm) hypothetical protein 0.0367 0.3209 0.5724
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0965 0.1721
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0198 0.0198
Echinococcus granulosus caspase 3 0.0165 0.1285 0.1285
Trichomonas vaginalis set domain proteins, putative 0.0238 0.1986 1
Trypanosoma cruzi metacaspase, putative 0.007 0.0382 0.2398
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0965 0.1721
Brugia malayi Pre-SET motif family protein 0.0209 0.171 0.305
Loa Loa (eye worm) hypothetical protein 0.0062 0.0304 0.0543
Brugia malayi Calcitonin receptor-like protein seb-1 0.0208 0.1694 0.3022
Loa Loa (eye worm) carboxylesterase 0.0367 0.3209 0.5724
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0062 0.0304 0.0543
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0382 0.1709
Brugia malayi Latrophilin receptor protein 2 0.0066 0.034 0.0607
Onchocerca volvulus 0.0062 0.0304 0.1532
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0965 0.1523
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0965 1
Brugia malayi hypothetical protein 0.0062 0.0304 0.0543
Schistosoma mansoni hypothetical protein 0.0135 0.1004 0.1586
Schistosoma mansoni hypothetical protein 0.0142 0.1068 0.1686
Schistosoma mansoni smad1 5 8 and 0.0042 0.0115 0.0182
Brugia malayi phosphofructokinase 0.0131 0.0965 0.1721
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0062 0.0304 0.048

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.4662 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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