Detailed information for compound 1280452

Basic information

Technical information
  • TDR Targets ID: 1280452
  • Name: [2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethy l] acetate
  • MW: 276.331 | Formula: C15H20N2O3
  • H donors: 1 H acceptors: 3 LogP: 1.9 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccncc1)OC(=O)C)NC1CCCCC1
  • InChi: 1S/C15H20N2O3/c1-11(18)20-14(12-7-9-16-10-8-12)15(19)17-13-5-3-2-4-6-13/h7-10,13-14H,2-6H2,1H3,(H,17,19)
  • InChiKey: YVPNZBGAFNZGTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(cyclohexylamino)-2-oxo-1-(4-pyridyl)ethyl] acetate
  • acetic acid [2-(cyclohexylamino)-2-oxo-1-(4-pyridyl)ethyl] ester
  • acetic acid [2-(cyclohexylamino)-2-keto-1-(4-pyridyl)ethyl] ester
  • [2-(cyclohexylamino)-2-oxo-1-pyridin-4-yl-ethyl] ethanoate
  • ASN 07441541
  • Acetic acid cyclohexylcarbamoyl-pyridin-4-yl-methyl ester
  • SMR000008015
  • MLS000033726

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
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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 berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva hypothetical protein 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
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani apurinic/apyrimidinic endonuclease-redox 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 CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ap endonuclease 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
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Cryptosporidium parvum conserved 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
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1051 0.213
Brugia malayi Thioredoxin reductase 0.004 0.254 0.5865
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0013 0.0271 0.0258
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.4331 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.4331 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.4331 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.7773 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.1051 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0014 0.0313 0.0186
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0313 0.0104
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0014 0.0313 0.0104
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.4331 0.4237
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.4331 1
Brugia malayi steroid hormone receptor 0.0012 0.0164 0.0378
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0313 0.0104
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0014 0.0313 0.0186
Toxoplasma gondii NADPH-glutathione reductase 0.0014 0.0313 0.0104
Brugia malayi nuclear hormone receptor 0.0012 0.0164 0.0378
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.7773 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0164 0.0378
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0164 0.0378
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.7773 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0164 0.0378
Schistosoma mansoni hypothetical protein 0.0031 0.1725 0.1588
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0313 0.0359
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0014 0.0313 0.0104
Loa Loa (eye worm) thioredoxin reductase 0.004 0.254 0.5703
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.6906 0.8844
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.4331 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0164 0.0378
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1051 0.3438
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0014 0.0313 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0164 0.0378
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.1051 0.1837
Echinococcus multilocularis isocitrate dehydrogenase 0.0013 0.0271 0.0258
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.4331 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.6906 0.8844
Brugia malayi isocitrate dehydrogenase 0.0013 0.0271 0.0626
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.4331 1
Entamoeba histolytica hypothetical protein 0.0031 0.1725 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0313 0.0359
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0164 0.0378
Plasmodium falciparum thioredoxin reductase 0.004 0.254 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0013 0.0271 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0164 0.0378
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0313 0.0104
Toxoplasma gondii thioredoxin reductase 0.004 0.254 0.5589
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1051 0.1837
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0014 0.0313 0.0104
Trypanosoma brucei protein kinase, putative 0.0062 0.4331 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0164 0.0378
Plasmodium falciparum glutathione reductase 0.0014 0.0313 0.0186
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.1051 0.213
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.4331 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0013 0.0271 0.0258
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0313 0.0104
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0014 0.0313 0.0104
Brugia malayi Isocitrate dehydrogenase 0.0013 0.0271 0.0626
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0014 0.0313 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.1051 0.1922
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0013 0.0271 0.0258
Brugia malayi glutathione reductase 0.004 0.254 0.5865
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0164 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.1051 1
Schistosoma mansoni transcription factor LCR-F1 0.0031 0.1725 0.1588
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.6906 0.8844
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.4331 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.1051 0.1922
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.4331 1
Trypanosoma cruzi trypanothione reductase, putative 0.0014 0.0313 0.0104
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0031 0.1725 0.3747
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0014 0.0313 0.0104
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0164 0.0378
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0014 0.0313 0.0104
Plasmodium vivax thioredoxin reductase, putative 0.004 0.254 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0164 0.0378
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.4331 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1051 0.3438
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0164 0.0378
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.4331 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.4331 1
Brugia malayi hypothetical protein 0.0031 0.1725 0.3984
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0164 0.0378
Mycobacterium tuberculosis Probable reductase 0.0092 0.6906 0.8844
Leishmania major trypanothione reductase 0.004 0.254 0.5589
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0014 0.0313 0.0104
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.4331 1
Schistosoma mansoni ap endonuclease 0.0023 0.1051 0.0902
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0014 0.0313 0.0104
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.6906 0.8844
Plasmodium falciparum thioredoxin reductase 0.0014 0.0313 0.0186
Loa Loa (eye worm) isocitrate dehydrogenase 0.0013 0.0271 0.0258
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.254 0.5589
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0014 0.0313 0.0152
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0164 0.0378
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0013 0.0271 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0164 0.0378
Trypanosoma brucei trypanothione reductase 0.004 0.254 0.5589
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0164 0.0378
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.254 0.3025
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.0313 0.0724
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0164 0.0378
Brugia malayi ecdysteroid receptor 0.0012 0.0164 0.0378
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0014 0.0313 0.0186
Plasmodium falciparum glutathione reductase 0.004 0.254 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0031 0.1725 0.3747
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0014 0.0313 0.0104
Onchocerca volvulus 0.0012 0.0164 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.4331 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0014 0.0313 0.0104
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1051 0.2427
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0014 0.0313 0.0104
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.4331 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0014 0.0313 0.0186
Toxoplasma gondii exonuclease III APE 0.0023 0.1051 0.1922
Entamoeba histolytica hypothetical protein 0.0031 0.1725 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0313 0.0104
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0013 0.0271 0.0109
Entamoeba histolytica hypothetical protein 0.0031 0.1725 1
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0164 0.5
Brugia malayi MAP kinase sur-1 0.0062 0.4331 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.1051 0.213
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.1051 0.104
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.7773 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.6906 0.8844
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.1051 1
Loa Loa (eye worm) glutathione reductase 0.004 0.254 0.5703
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.4331 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0164 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.1051 0.1922
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.254 0.5703
Plasmodium vivax glutathione reductase, putative 0.004 0.254 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.4331 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0014 0.0313 0.0104
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0164 0.0378
Schistosoma mansoni ap endonuclease 0.0023 0.1051 0.0902
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1051 0.1837
Entamoeba histolytica hypothetical protein 0.0031 0.1725 1
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.254 0.5703
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.1051 0.1922

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0032 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.0045 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.0063 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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