Detailed information for compound 826846

Basic information

Technical information
  • TDR Targets ID: 826846
  • Name: 1-ethyl-3-(4-methoxyphenyl)-6-methylpyrimido[ 5,6-e][1,2,4]triazine-5,7-dione
  • MW: 313.311 | Formula: C15H15N5O3
  • H donors: 0 H acceptors: 2 LogP: 1.32 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nn(CC)c2c(n1)c(=O)n(c(=O)n2)C
  • InChi: 1S/C15H15N5O3/c1-4-20-13-11(14(21)19(2)15(22)17-13)16-12(18-20)9-5-7-10(23-3)8-6-9/h5-8H,4H2,1-3H3
  • InChiKey: OYEOXFZRVNDRKZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-ethyl-3-(4-methoxyphenyl)-6-methyl-pyrimido[5,6-e][1,2,4]triazine-5,7-dione
  • 1-ethyl-3-(4-methoxyphenyl)-6-methyl-pyrimido[5,6-e][1,2,4]triazine-5,7-quinone
  • ZINC00488333
  • Oprea1_738262
  • D052-0169
  • STK249722

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transglutaminase 3 Starlite/ChEMBL References
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase No references
Homo sapiens transglutaminase 1 Starlite/ChEMBL References
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras No references
Homo sapiens transglutaminase 2 Starlite/ChEMBL References
Homo sapiens caspase 3, apoptosis-related cysteine peptidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative Get druggable targets OG5_127362 All targets in OG5_127362
Leishmania infantum dihydrolipoamide dehydrogenase, putative Get druggable targets OG5_126968 All targets in OG5_126968
Neospora caninum hypothetical protein Get druggable targets OG5_126968 All targets in OG5_126968
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative Get druggable targets OG5_127362 All targets in OG5_127362
Leishmania infantum 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative Get druggable targets OG5_127362 All targets in OG5_127362
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras Get druggable targets OG5_126968 All targets in OG5_126968
Trypanosoma congolense 2-oxoglutarate dehydrogenase E2 component, putative Get druggable targets OG5_127362 All targets in OG5_127362
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Get druggable targets OG5_126968 All targets in OG5_126968
Trichomonas vaginalis glutathione reductase, putative Get druggable targets OG5_126968 All targets in OG5_126968
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Theileria parva dihydrolipoamide succinyltransferase, putative Get druggable targets OG5_127362 All targets in OG5_127362
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126968 All targets in OG5_126968
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127362 All targets in OG5_127362
Leishmania mexicana 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative Get druggable targets OG5_127362 All targets in OG5_127362
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component Get druggable targets OG5_126968 All targets in OG5_126968
Echinococcus granulosus dihydrolipoamide dehydrogenase Get druggable targets OG5_126968 All targets in OG5_126968
Brugia malayi dihydrolipoamide succinyltransferase Get druggable targets OG5_127362 All targets in OG5_127362
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component Get druggable targets OG5_126968 All targets in OG5_126968
Trypanosoma brucei dihydrolipoyl dehydrogenase Get druggable targets OG5_126968 All targets in OG5_126968
Neospora caninum hypothetical protein Get druggable targets OG5_127362 All targets in OG5_127362
Mycobacterium ulcerans dihydrolipoamide acetyltransferase Get druggable targets OG5_127362 All targets in OG5_127362
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase Get druggable targets OG5_127362 All targets in OG5_127362
Echinococcus multilocularis dihydrolipoamide dehydrogenase Get druggable targets OG5_126968 All targets in OG5_126968
Leishmania major dihydrolipoamide dehydrogenase, putative Get druggable targets OG5_126968 All targets in OG5_126968
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Get druggable targets OG5_126968 All targets in OG5_126968
Leishmania mexicana dihydrolipoamide dehydrogenase, putative Get druggable targets OG5_126968 All targets in OG5_126968
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Get druggable targets OG5_126968 All targets in OG5_126968
Schistosoma japonicum ko:K00658 2-oxoglutarate dehydrogenase E2 component (dihydrolipoamide [EC2.3.1.61], putative Get druggable targets OG5_127362 All targets in OG5_127362
Candida albicans similar to S. cerevisiae LPD1 (YFL018C) dihydrolipoamide dehydrogenase component of 3 multi-enzyme complexes of the mitochondria Get druggable targets OG5_126968 All targets in OG5_126968
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Chlamydia trachomatis dihydrolipoyl dehydrogenase Get druggable targets OG5_126968 All targets in OG5_126968
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide acyltransferase E2 component Get druggable targets OG5_127362 All targets in OG5_127362
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127362 All targets in OG5_127362
Plasmodium berghei dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative Get druggable targets OG5_127362 All targets in OG5_127362
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Get druggable targets OG5_126968 All targets in OG5_126968
Theileria parva dihydrolipoamide dehydrogenase, putative Get druggable targets OG5_126968 All targets in OG5_126968
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE Get druggable targets OG5_126968 All targets in OG5_126968
Onchocerca volvulus Get druggable targets OG5_131468 All targets in OG5_131468
Candida albicans similar to S. cerevisiae LPD1 (YFL018C) dihydrolipoamide dehydrogenase component of 3 multi-enzyme complexes of the mitochondria Get druggable targets OG5_126968 All targets in OG5_126968
Leishmania donovani 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative Get druggable targets OG5_127362 All targets in OG5_127362
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase Get druggable targets OG5_127362 All targets in OG5_127362
Plasmodium yoelii 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative Get druggable targets OG5_127362 All targets in OG5_127362
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative Get druggable targets OG5_126968 All targets in OG5_126968
Plasmodium knowlesi dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative Get druggable targets OG5_127362 All targets in OG5_127362
Trypanosoma brucei gambiense dihydrolipoyl dehydrogenase Get druggable targets OG5_126968 All targets in OG5_126968
Babesia bovis dihydrolipoamide succinyltransferase, putative Get druggable targets OG5_127362 All targets in OG5_127362
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative Get druggable targets OG5_127362 All targets in OG5_127362
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative Get druggable targets OG5_127362 All targets in OG5_127362
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB Get druggable targets OG5_127362 All targets in OG5_127362
Plasmodium yoelii dihydrolipoamide dehydrogenase Get druggable targets OG5_126968 All targets in OG5_126968
Chlamydia trachomatis dihydrolipoamide succinyltransferase Get druggable targets OG5_127362 All targets in OG5_127362
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative Get druggable targets OG5_127362 All targets in OG5_127362
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex Get druggable targets OG5_127362 All targets in OG5_127362
Leishmania braziliensis dihydrolipoamide dehydrogenase, putative Get druggable targets OG5_126968 All targets in OG5_126968
Candida albicans Dihydrolipoamide S-succinyltransferase Get druggable targets OG5_127362 All targets in OG5_127362
Babesia bovis dihydrolipoamide dehydrogenase, putative Get druggable targets OG5_126968 All targets in OG5_126968
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative Get druggable targets OG5_126968 All targets in OG5_126968
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase Get druggable targets OG5_127362 All targets in OG5_127362
Trypanosoma congolense dihydrolipoyl dehydrogenase Get druggable targets OG5_126968 All targets in OG5_126968
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta Get druggable targets OG5_127362 All targets in OG5_127362
Onchocerca volvulus Get druggable targets OG5_127362 All targets in OG5_127362
Candida albicans Dihydrolipoamide S-succinyltransferase Get druggable targets OG5_127362 All targets in OG5_127362
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative Get druggable targets OG5_127362 All targets in OG5_127362
Mycobacterium ulcerans dihydrolipoamide dehydrogenase Get druggable targets OG5_126968 All targets in OG5_126968
Schistosoma mansoni dihydrolipoamide dehydrogenase Get druggable targets OG5_126968 All targets in OG5_126968
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma japonicum ko:K00382 dihydrolipoamide dehydrogenase [EC1.8.1.4], putative Get druggable targets OG5_126968 All targets in OG5_126968
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase Get druggable targets OG5_127362 All targets in OG5_127362
Echinococcus multilocularis caspase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase Get druggable targets OG5_127362 All targets in OG5_127362
Trichomonas vaginalis mercuric reductase, putative Get druggable targets OG5_126968 All targets in OG5_126968
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Get druggable targets OG5_126968 All targets in OG5_126968
Leishmania braziliensis 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative Get druggable targets OG5_127362 All targets in OG5_127362
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania donovani dihydrolipoamide dehydrogenase, putative Get druggable targets OG5_126968 All targets in OG5_126968
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cell death protein 3 precursor caspase 3, apoptosis-related cysteine peptidase 277 aa 253 aa 38.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0058 0.1302 0.3744
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0031 0.0469 0.0988
Brugia malayi Nuclear hormone receptor E75 0.0027 0.0369 0.106
Echinococcus multilocularis thyroid hormone receptor alpha 0.0058 0.1302 0.3484
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0027 0.0369 0.0689
Brugia malayi nuclear hormone receptor 0.0058 0.1302 0.3744
Trypanosoma brucei metacaspase 0.0032 0.0513 0.9272
Schistosoma mansoni caspase-3 (C14 family) 0.012 0.3191 0.798
Loa Loa (eye worm) hypothetical protein 0.0058 0.1302 1
Echinococcus multilocularis caspase 8 0.0032 0.0513 0.112
Echinococcus granulosus ecdysone induced protein 78C 0.0058 0.1302 0.3484
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.3508 0.7992
Mycobacterium ulcerans hypothetical protein 0.0129 0.3479 1
Schistosoma mansoni RAR-like nuclear receptor 0.0058 0.1302 0.2959
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0058 0.1302 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0058 0.1302 0.3744
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0513 0.9272
Mycobacterium tuberculosis Conserved hypothetical protein 0.0129 0.3479 0.7923
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0058 0.1302 0.2959
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.0513 0.9272
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0058 0.1302 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0027 0.0369 0.0689
Loa Loa (eye worm) hypothetical protein 0.0031 0.0469 0.36
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0369 0.0689
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Brugia malayi orphan nuclear receptor NR2E1 0.0027 0.0369 0.106
Schistosoma mansoni thyroid hormone receptor 0.0058 0.1302 0.2959
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0542 0.0099
Brugia malayi nuclear receptor RXR 0.0027 0.0369 0.106
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0021 0.019 0.0152
Plasmodium falciparum metacaspase-like protein 0.0032 0.0513 0.9272
Echinococcus granulosus Nuclear hormone receptor HR96 0.0027 0.0369 0.0689
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0058 0.1302 0.3744
Loa Loa (eye worm) DR-78 0.0027 0.0369 0.2832
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0542 1
Schistosoma mansoni zinc finger protein 0.0027 0.0369 0.0477
Onchocerca volvulus 0.0027 0.0369 0.0369
Mycobacterium leprae Conserved hypothetical protein 0.0129 0.3479 0.783
Loa Loa (eye worm) hypothetical protein 0.0031 0.0469 0.36
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0021 0.019 0.1256
Loa Loa (eye worm) hypothetical protein 0.0031 0.0469 0.36
Loa Loa (eye worm) hypothetical protein 0.0021 0.019 0.1455
Onchocerca volvulus 0.0058 0.1302 0.1302
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Loa Loa (eye worm) thioredoxin reductase 0.002 0.0139 0.1066
Loa Loa (eye worm) nuclear receptor NHR-67 0.0027 0.0369 0.2832
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0021 0.019 0.1256
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0058 0.1302 0.3484
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0058 0.1302 0.3744
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0513 0.9272
Schistosoma mansoni caspase-7 (C14 family) 0.0032 0.0513 0.086
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Mycobacterium tuberculosis Long conserved protein 0.0129 0.3479 0.7923
Schistosoma mansoni nuclear hormone receptor 0.0058 0.1302 0.2959
Trypanosoma cruzi metacaspase, putative 0.0032 0.0513 0.9272
Brugia malayi tailless protein 0.0027 0.0369 0.106
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Loa Loa (eye worm) hypothetical protein 0.0058 0.1302 1
Brugia malayi Thioredoxin reductase 0.002 0.0139 0.0399
Trypanosoma brucei metacaspase MCA2 0.0032 0.0513 0.9272
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0058 0.1302 0.2959
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0058 0.1302 0.3484
Mycobacterium tuberculosis Conserved protein 0.0129 0.3479 0.7923
Schistosoma mansoni hypothetical protein 0.0129 0.3479 0.8745
Brugia malayi glutathione reductase 0.002 0.0139 0.0399
Loa Loa (eye worm) hypothetical protein 0.0058 0.1302 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0058 0.1302 0.3484
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0369 0.0477
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0021 0.019 0.0152
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0542 0.0099
Trichomonas vaginalis peptide N-glycanase, putative 0.0129 0.3479 1
Brugia malayi nuclear receptor NHR-88 0.0058 0.1302 0.3744
Brugia malayi nuclear receptor NHR-88 0.0027 0.0369 0.106
Brugia malayi nuclear hormone receptor 0.0027 0.0369 0.106
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Leishmania major metacaspase, putative 0.0032 0.0513 0.9272
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0027 0.0369 0.0477
Brugia malayi photoreceptor-specific nuclear receptor 0.0058 0.1302 0.3744
Mycobacterium tuberculosis Hypothetical protein 0.0129 0.3479 0.7923
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0058 0.1302 0.2959
Plasmodium falciparum metacaspase 1 0.0032 0.0513 0.9272
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0058 0.1302 0.3744
Mycobacterium leprae Conserved hypothetical protein 0.0129 0.3479 0.783
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Trypanosoma cruzi metacaspase, putative 0.0032 0.0513 0.9272
Mycobacterium tuberculosis Conserved hypothetical protein 0.0129 0.3479 0.7923
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0058 0.1302 0.3484
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.3508 0.7992
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0513 0.9272
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0058 0.1302 0.3484
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0027 0.0369 0.2832
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0058 0.1302 1
Brugia malayi Nuclear hormone receptor-like 1 0.0058 0.1302 0.3744
Echinococcus granulosus nuclear receptor nhr 48 0.0027 0.0369 0.0689
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.3508 0.7992
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.3951 0.9043
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0027 0.0369 0.0689
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0058 0.1302 0.3744
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Brugia malayi hypothetical protein 0.0031 0.0469 0.1348
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0158 0.4355 1
Echinococcus granulosus caspase 8 0.0032 0.0513 0.112
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0058 0.1302 0.3744
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0542 0.0938
Schistosoma mansoni nuclear receptor 0.0027 0.0369 0.0477
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.3508 0.7901
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0032 0.0513 0.1474
Trypanosoma brucei metacaspase 5, putative 0.0032 0.0513 0.9272
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0021 0.019 0.1256
Echinococcus multilocularis caspase 2 0.0032 0.0513 0.112
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0058 0.1302 0.2959
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0542 1
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.0513 0.9272
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0026 0.032 0.043
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0032 0.0513 0.086
Brugia malayi nuclear receptor NHR-67 0.0027 0.0369 0.106
Echinococcus multilocularis caspase 0.012 0.3191 0.9138
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0542 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0058 0.1302 0.3744
Brugia malayi Cell death protein 3 precursor 0.0032 0.0513 0.1474
Echinococcus granulosus Transglutaminase 0.0129 0.3479 1
Schistosoma mansoni caspase-7 (C14 family) 0.012 0.3191 0.798
Mycobacterium tuberculosis Probable reductase 0.013 0.3508 0.7992
Trypanosoma brucei Metacaspase-4 0.0032 0.0513 0.9272
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0058 0.1302 0.3484
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0058 0.1302 0.3484
Loa Loa (eye worm) nuclear hormone receptor 0.0027 0.0369 0.2832
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0058 0.1302 0.2959
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0058 0.1302 0.3484
Schistosoma mansoni steroid hormone receptor ad4bp 0.0058 0.1302 0.2959
Loa Loa (eye worm) hypothetical protein 0.0031 0.0469 0.36
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0542 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0058 0.1302 1
Plasmodium vivax metacaspase 1, putative 0.0032 0.0513 0.9272
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0542 0.1208
Onchocerca volvulus Bile acid receptor homolog 0.0058 0.1302 0.1302
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0058 0.1302 0.3484
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0513 0.9272
Brugia malayi nuclear receptor RXR 0.0031 0.0469 0.1348
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0469 0.1348
Echinococcus multilocularis Transglutaminase 0.0129 0.3479 1
Brugia malayi conserved hypotetical protein 0.0027 0.0369 0.106
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0058 0.1302 0.3744
Brugia malayi hypothetical protein 0.0027 0.0369 0.106
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0058 0.1302 0.3744
Loa Loa (eye worm) hypothetical protein 0.0032 0.0513 0.3938
Loa Loa (eye worm) hypothetical protein 0.0031 0.0469 0.36
Schistosoma mansoni nuclear receptor 0.0027 0.0369 0.0477
Echinococcus granulosus Nuclear hormone receptor HR96 0.0027 0.0369 0.0689
Onchocerca volvulus Protein ultraspiracle homolog 0.0058 0.1302 0.1302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0058 0.1302 1
Onchocerca volvulus 0.0027 0.0369 0.0369
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.3508 0.7992
Brugia malayi ecdysone receptor 0.0027 0.0369 0.106
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0542 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0027 0.0369 0.0689
Echinococcus granulosus caspase 0.012 0.3191 0.9138
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0058 0.1302 0.3744
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0021 0.019 0.0545
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0469 0.1348
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0031 0.0469 0.36
Echinococcus multilocularis ecdysone induced protein 78C 0.0058 0.1302 0.3484
Trypanosoma brucei metacaspase MCA3 0.0032 0.0513 0.9272
Mycobacterium ulcerans hypothetical protein 0.0129 0.3479 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.012 0.3191 0.9138
Brugia malayi nuclear hormone receptor family member nhr-6 0.0027 0.0369 0.106
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.3951 0.9043
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0369 0.0689
Brugia malayi Nuclear hormone receptor E75 0.0027 0.0369 0.106
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0058 0.1302 0.3744
Loa Loa (eye worm) glutathione reductase 0.002 0.0139 0.1066
Echinococcus granulosus caspase 3 0.0088 0.2214 0.6212
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0021 0.019 0.1256
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0021 0.019 0.1256
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0058 0.1302 0.3744
Echinococcus granulosus FTZ F1 alpha 0.0058 0.1302 0.3484
Giardia lamblia Transglutaminase/protease, putative 0.0129 0.3479 1
Trypanosoma cruzi metacaspase, putative 0.0032 0.0513 0.9272
Schistosoma mansoni nuclear receptor nhr-48 0.0027 0.0369 0.0477
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0058 0.1302 0.3484
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0058 0.1302 0.2959
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0027 0.0369 0.0369
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0542 0.1208
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0031 0.0469 0.0743
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0542 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0027 0.0369 0.0369
Mycobacterium ulcerans transglutaminase family protein 0.0129 0.3479 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0058 0.1302 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0031 0.0469 0.0988
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0027 0.0369 0.106
Treponema pallidum NADH oxidase 0.002 0.0139 0.5
Brugia malayi hypothetical protein 0.0027 0.0369 0.106
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0469 0.0743
Brugia malayi hypothetical protein 0.0031 0.0469 0.1348
Loa Loa (eye worm) hypothetical protein 0.0058 0.1302 1
Schistosoma mansoni retinoic acid receptor RXR 0.0058 0.1302 0.2959
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0542 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0513 0.3938
Brugia malayi steroid hormone receptor 0.0058 0.1302 0.3744
Onchocerca volvulus Cell death protein 3 homolog 0.0032 0.0513 0.0513
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0542 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0058 0.1302 0.3484
Loa Loa (eye worm) steroid hormone receptor 0.0058 0.1302 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0158 0.4355 1
Echinococcus granulosus caspase 2 0.0032 0.0513 0.112
Giardia lamblia Hypothetical protein 0.0129 0.3479 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.1302 1
Echinococcus multilocularis caspase 3 0.0088 0.2214 0.6212
Echinococcus multilocularis FTZ F1 alpha 0.0058 0.1302 0.3484
Loa Loa (eye worm) hypothetical protein 0.0058 0.1302 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0027 0.0369 0.106
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0542 1
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0369 0.0477
Echinococcus granulosus thyroid hormone receptor alpha 0.0027 0.0369 0.0689
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0058 0.1302 0.3484
Loa Loa (eye worm) hypothetical protein 0.0058 0.1302 1
Brugia malayi ecdysteroid receptor 0.0058 0.1302 0.3744
Mycobacterium ulcerans putative transglutaminase-like protein 0.0129 0.3479 1
Schistosoma mansoni thyroid hormone receptor 0.0058 0.1302 0.2959
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.012 0.3191 0.9138
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0542 0.1559
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0027 0.0369 0.0689
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0058 0.1302 1
Trypanosoma cruzi metacaspase, putative 0.0032 0.0513 0.9272
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Loa Loa (eye worm) hypothetical protein 0.0027 0.0369 0.2832
Brugia malayi Thioredoxin family protein 0.0129 0.3479 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0027 0.0369 0.0689
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0021 0.019 0.1256
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0542 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0058 0.1302 0.3484
Schistosoma mansoni coup transcription factor 0.0058 0.1302 0.2959
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0542 0.1208
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0026 0.032 0.0543
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0027 0.0369 0.0477
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.3508 0.7992
Loa Loa (eye worm) hypothetical protein 0.0058 0.1302 1
Brugia malayi Steroid receptor seven-up type 2 0.0058 0.1302 0.3744
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0058 0.1302 0.1302
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0021 0.019 0.1256

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of thrombin activated human F13a by fluorescent transamidation assay ChEMBL. 22224594
IC50 (binding) < 40 nM Inhibition Assay BINDINGDB. No reference
IC50 (binding) = 60 nM Inhibition Assay BINDINGDB. No reference
IC50 (binding) = 0.003 uM Inhibition of caspase3 ChEMBL. 22224594
IC50 (binding) = 0.011 uM Inhibition of thrombin activated human TG3 by fluorescent transamidation assay ChEMBL. 22224594
IC50 (binding) = 0.018 uM Inhibition of human recombinant TG1 by fluorescent transamidation assay ChEMBL. 22224594
IC50 (binding) = 0.025 uM Inhibition of human recombinant TG2 by fluorescent transamidation assay ChEMBL. 22224594
IC50 (functional) > 10.42 uM DNDI DNDI. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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