Detailed information for compound 517564

Basic information

Technical information
  • TDR Targets ID: 517564
  • Name: 3-(ethylaminomethyl)-1-oxo-N-(1,3-thiazol-2-y l)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-car boxamide
  • MW: 369.441 | Formula: C18H19N5O2S
  • H donors: 3 H acceptors: 3 LogP: 1.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNCC1NC(=O)c2n(C1)c1cc(ccc1c2)C(=O)Nc1nccs1
  • InChi: 1S/C18H19N5O2S/c1-2-19-9-13-10-23-14-8-12(16(24)22-18-20-5-6-26-18)4-3-11(14)7-15(23)17(25)21-13/h3-8,13,19H,2,9-10H2,1H3,(H,21,25)(H,20,22,24)
  • InChiKey: ITLODBHLYHWFIO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(ethylaminomethyl)-1-oxo-N-thiazol-2-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
  • 3-(ethylaminomethyl)-1-oxo-N-(2-thiazolyl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
  • 3-(ethylaminomethyl)-1-keto-N-thiazol-2-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase-activated protein kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Brugia malayi map kinase activated protein kinase protein 2 Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative Get druggable targets OG5_131483 All targets in OG5_131483
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase-activated protein kinase 2 370 aa 303 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.1094 0.1028
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.0073 0.0108
Loa Loa (eye worm) glutathione reductase 0.0137 0.2927 0.5118
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0073 0.0108
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0048 0.082 0.2283
Brugia malayi glutathione reductase 0.0137 0.2927 0.5079
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0181 0.0296
Brugia malayi jmjC domain containing protein 0.0059 0.1094 0.1848
Schistosoma mansoni survival motor neuron protein 0.0052 0.093 0.0862
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0866 0.0799
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0048 0.082 0.0752
Plasmodium falciparum glutathione reductase 0.0048 0.082 0.2615
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0073 0.0128
Mycobacterium tuberculosis Probable oxidoreductase 0.0348 0.788 1
Trypanosoma cruzi trypanothione reductase, putative 0.0137 0.2927 1
Toxoplasma gondii exonuclease III APE 0.002 0.0181 0.0376
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0313 0.7059 0.8324
Loa Loa (eye worm) thioredoxin reductase 0.0137 0.2927 0.5118
Leishmania major DNA polymerase kappa, putative 0.0021 0.0193 0.042
Brugia malayi map kinase activated protein kinase protein 2 0.0217 0.4817 0.841
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0344 0.0947
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0344 0.0947
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0048 0.082 0.2615
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0313 0.7059 0.8934
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0048 0.082 0.1416
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0193 0.002
Leishmania major hypothetical protein, conserved 0.0027 0.0344 0.0947
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0193 0.0528
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0181 0.0376
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0048 0.082 0.2283
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.093 0.1558
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0344 0.0525
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0478 0.1417
Toxoplasma gondii NADPH-glutathione reductase 0.0048 0.082 0.2615
Schistosoma mansoni ap endonuclease 0.002 0.0181 0.0108
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.082 0.2615
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0193 0.0528
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0193 0.0338
Plasmodium falciparum thioredoxin reductase 0.0048 0.082 0.2615
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0125 0.2647 0.4616
Schistosoma mansoni lamin 0.0027 0.0344 0.0272
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0048 0.082 0.2699
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0181 0.0316
Schistosoma mansoni hypothetical protein 0.0171 0.3733 0.3686
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0048 0.082 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0866 0.0799
Echinococcus multilocularis thioredoxin glutathione reductase 0.0138 0.294 0.5131
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.0478 0.1417
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0046 0.008
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0048 0.082 0.2615
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0193 0.0528
Toxoplasma gondii aldehyde dehydrogenase 0.0125 0.2647 0.9017
Plasmodium falciparum thioredoxin reductase 0.0137 0.2927 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0193 0.002
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0048 0.082 0.2615
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0866 0.1514
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0344 0.0601
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0313 0.7059 0.8934
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.6413 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0125 0.2647 0.4616
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0344 0.0947
Loa Loa (eye worm) hypothetical protein 0.0027 0.0344 0.0601
Trichomonas vaginalis glutathione reductase, putative 0.0048 0.082 0.1025
Leishmania major DNA polymerase eta, putative 0.0021 0.0193 0.042
Brugia malayi Thioredoxin reductase 0.0137 0.2927 0.5079
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0193 0.0121
Mycobacterium ulcerans aldehyde dehydrogenase 0.0125 0.2647 0.8808
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0348 0.788 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0181 0.0296
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0478 0.0477
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0193 0.0528
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.6413 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.082 0.2615
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.0478 0.1514
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0128
Echinococcus granulosus dna polymerase eta 0.0021 0.0193 0.0318
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0193 0.0528
Echinococcus multilocularis lamin 0.0027 0.0344 0.0581
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.1094 0.1028
Plasmodium falciparum glutathione reductase 0.0137 0.2927 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0866 0.0799
Treponema pallidum NADH oxidase 0.0048 0.082 0.1025
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0193 0.0528
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.6413 1
Echinococcus granulosus lamin dm0 0.0027 0.0344 0.0581
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0016 0.0073 0.0108
Echinococcus granulosus survival motor neuron protein 1 0.0256 0.5719 1
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0073 0.0108
Loa Loa (eye worm) hypothetical protein 0.0256 0.5719 1
Schistosoma mansoni lamin 0.0027 0.0344 0.0272
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0193 0.042
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0048 0.082 0.2615
Toxoplasma gondii thioredoxin reductase 0.0137 0.2927 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0193 0.002
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0181 0.0376
Brugia malayi jmjC domain containing protein 0.0016 0.0073 0.0049
Leishmania major trypanothione reductase 0.0137 0.2927 1
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0344 0.0947
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0344 0.0947
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0497 0.0507
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.6413 1
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0193 0.0528
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0073 0.0128
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0048 0.082 0.2699
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0048 0.082 0.2615
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0866 0.1497
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.6413 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0313 0.7059 0.8934
Schistosoma mansoni hypothetical protein 0.0052 0.093 0.0862
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0193 0.0045
Echinococcus granulosus dna polymerase kappa 0.0021 0.0193 0.0318
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.1094 0.1897
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0125 0.2647 0.9017
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.298 0.3636
Brugia malayi hypothetical protein 0.0256 0.5719 1
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0193 0.0045
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0128
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0193 0.0318
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0048 0.082 0.1416
Giardia lamblia NADH oxidase lateral transfer candidate 0.0048 0.082 0.1025
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.1094 0.1897
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0181 0.0376
Loa Loa (eye worm) hypothetical protein 0.0021 0.0193 0.0338
Echinococcus multilocularis geminin 0.0171 0.3733 0.6519
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0048 0.082 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0344 0.0601
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0193 0.042
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0048 0.082 1
Giardia lamblia DINP protein human, muc B family 0.0021 0.0193 0.002
Brugia malayi jmjC domain containing protein 0.0016 0.0073 0.0049
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.082 0.2615
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.1094 0.1897
Mycobacterium ulcerans aldehyde dehydrogenase 0.0125 0.2647 0.8808
Schistosoma mansoni jumonji domain containing protein 0.0059 0.1094 0.1028
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0193 0.0528
Schistosoma mansoni rotamase 0.0034 0.0497 0.0426
Echinococcus multilocularis expressed protein 0.0034 0.0497 0.085
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0073 0.0108
Trichomonas vaginalis rotamase, putative 0.0033 0.0478 0.0477
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.6413 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0193 0.042
Echinococcus granulosus thioredoxin glutathione reductase 0.0138 0.294 0.5131
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0193 0.0528
Echinococcus granulosus lamin 0.0027 0.0344 0.0581
Schistosoma mansoni serine/threonine protein kinase 0.0217 0.4817 0.4779
Trichomonas vaginalis rotamase, putative 0.0034 0.0497 0.0507
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0048 0.082 0.1364
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.082 0.2615
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0073 0.0108
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0181 0.0485
Echinococcus granulosus phd:f box containing protein 0.0016 0.0073 0.0108
Brugia malayi jmjC domain containing protein 0.0016 0.0073 0.0049
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.082 0.2615
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.0478 0.1417
Echinococcus granulosus expressed protein 0.0034 0.0497 0.085
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0048 0.082 0.2615
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0073 0.0108
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0193 0.0528
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0048 0.082 0.2615
Trypanosoma brucei trypanothione reductase 0.0137 0.2927 1
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0073 0.0108
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.298 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.6413 1
Brugia malayi jmjC domain containing protein 0.0016 0.0073 0.0049
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0048 0.082 0.2615
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.082 0.2615
Trypanosoma brucei unspecified product 0.0021 0.0193 0.0528
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0348 0.788 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0073 0.0108
Mycobacterium tuberculosis Probable dehydrogenase 0.0313 0.7059 0.8934
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0217 0.4817 0.8419
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0193 0.042
Onchocerca volvulus 0.0052 0.093 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0048 0.082 0.2615
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0128
Brugia malayi hypothetical protein 0.0027 0.0344 0.0525
Echinococcus multilocularis survival motor neuron protein 1 0.0256 0.5719 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0193 0.0121
Brugia malayi hypothetical protein 0.0018 0.0116 0.0124
Treponema pallidum fructose-bisphosphate aldolase 0.0285 0.6413 1
Echinococcus multilocularis lamin dm0 0.0027 0.0344 0.0581
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0193 0.026
Schistosoma mansoni aldehyde dehydrogenase 0.0125 0.2647 0.2592
Plasmodium vivax glutathione reductase, putative 0.0137 0.2927 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0181 0.0376
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0193 0.042
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0478 0.1417
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0866 0.1446
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0181 0.0238
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0313 0.7059 0.8934
Brugia malayi jmjC domain containing protein 0.0059 0.1094 0.1848
Loa Loa (eye worm) hypothetical protein 0.0013 0.0012 0.0021
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0193 0.0016
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0344 0.0947
Giardia lamblia Fructose-bisphosphate aldolase 0.0285 0.6413 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0344 0.0581
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0048 0.082 0.2699
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0048 0.082 0.2615
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0048 0.082 0.2283
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0217 0.4817 0.8423
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0193 0.042
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0193 0.0318
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0344 0.0601
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0344 0.1049
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0181 0.0376
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0866 0.1497
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0073 0.0128
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0193 0.026
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0048 0.082 0.083
Schistosoma mansoni ap endonuclease 0.002 0.0181 0.0108
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0137 0.2927 0.3567
Schistosoma mansoni DNA polymerase eta 0.0021 0.0193 0.0121
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.6413 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.082 0.2615
Echinococcus granulosus geminin 0.0171 0.3733 0.6519
Loa Loa (eye worm) hypothetical protein 0.0027 0.0332 0.058
Schistosoma mansoni hypothetical protein 0.0171 0.3733 0.3686
Mycobacterium tuberculosis Probable reductase 0.0313 0.7059 0.8934
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.6413 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0035 0.0523 0.0841
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0048 0.082 0.2699
Schistosoma mansoni intermediate filament proteins 0.0027 0.0344 0.0272
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.0497 0.0795
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0217 0.4817 0.8419
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0866 0.1497
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0866 0.1497
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0125 0.2647 0.3203
Mycobacterium ulcerans aldehyde dehydrogenase 0.0125 0.2647 0.8808
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0035 0.0523 0.0841
Echinococcus multilocularis dna polymerase eta 0.0021 0.0193 0.0318
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0193 0.0528
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.6413 1
Brugia malayi intermediate filament protein 0.0027 0.0344 0.0525
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0193 0.0318
Plasmodium vivax thioredoxin reductase, putative 0.0137 0.2927 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0193 0.0528
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0348 0.788 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.0497 0.0868
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0193 0.0016
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.1094 0.1897
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0016 0.0073 0.0113
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0193 0.0528
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0193 0.0528
Echinococcus multilocularis musashi 0.0027 0.0344 0.0581
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1094 0.1913
Schistosoma mansoni aldehyde dehydrogenase 0.0125 0.2647 0.2592
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0048 0.082 0.2615
Trichomonas vaginalis mercuric reductase, putative 0.0048 0.082 0.1025

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3000 nM Inhibition of MK2 (unknown origin) by DELFIA assay ChEMBL. 18291646
IC50 (binding) = 3000 nM Inhibition of MK2 (unknown origin) by DELFIA assay ChEMBL. 18291646

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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