Detailed information for compound 1397109

Basic information

Technical information
  • TDR Targets ID: 1397109
  • Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(1-methy lindol-3-yl)-5-oxo-6,7-dihydropyrazolo[5,1-b] pyrimidin-4-yl]acetamide
  • MW: 473.524 | Formula: C26H27N5O4
  • H donors: 1 H acceptors: 3 LogP: 2.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(cccc1OC)CNC(=O)CN1C(=O)CCn2c1cc(n2)c1cn(c2c1cccc2)C
  • InChi: 1S/C26H27N5O4/c1-29-15-19(18-8-4-5-9-21(18)29)20-13-24-30(25(33)11-12-31(24)28-20)16-23(32)27-14-17-7-6-10-22(34-2)26(17)35-3/h4-10,13,15H,11-12,14,16H2,1-3H3,(H,27,32)
  • InChiKey: KECDJIVOTBXMNO-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(1-methyl-3-indolyl)-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]acetamide
  • N-(2,3-dimethoxybenzyl)-2-[5-keto-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]acetamide
  • N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]ethanamide
  • G581-0246
  • NCGC00132178-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1553 0.4038
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1553 0.4038
Entamoeba histolytica cysteine proteinase 1, putative 0.0196 0.0952 0.4054
Echinococcus multilocularis cathepsin L 0.0196 0.0952 0.0949
Echinococcus multilocularis cysteine protease 0.0336 0.184 0.1836
Brugia malayi fibroinase precursor 0.0101 0.0347 0.0347
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0101 0.0347 0.1888
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0096 0.0316 0.0316
Brugia malayi Papain family cysteine protease containing protein 0.0101 0.0347 0.0347
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0572 0.3333 0.3333
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0431 0.2436 0.7311
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0101 0.0347 0.0032
Loa Loa (eye worm) hypothetical protein 0.0101 0.0347 0.0347
Loa Loa (eye worm) ctsf protein 0.0336 0.184 0.184
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1553 0.4038
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0196 0.0952 0.0657
Plasmodium falciparum serine repeat antigen 4 0.0101 0.0347 0.1888
Loa Loa (eye worm) hypothetical protein 0.0241 0.1235 0.1235
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0101 0.0347 0.0032
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0101 0.0347 0.0032
Echinococcus granulosus cathepsin l1 0.0336 0.184 0.1836
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.0611 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0572 0.3333 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0347 0.0347
Entamoeba histolytica cysteine proteinase 2 0.0196 0.0952 0.4054
Giardia lamblia Fructose-bisphosphate aldolase 0.0291 0.1553 0.4038
Echinococcus granulosus cysteine protease 0.0196 0.0952 0.0949
Brugia malayi Papain family cysteine protease containing protein 0.0336 0.184 0.184
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Trypanosoma cruzi cruzipain precursor, putative 0.0096 0.0316 0.0316
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0101 0.0347 0.1888
Mycobacterium tuberculosis Probable reductase 0.0104 0.037 0.6063
Plasmodium vivax vivapain-3 0.0196 0.0952 0.5177
Brugia malayi Papain family cysteine protease containing protein 0.0101 0.0347 0.0347
Brugia malayi Cathepsin L-like precursor 0.0241 0.1235 0.1235
Schistosoma mansoni cathepsin F (C01 family) 0.0241 0.1235 0.0949
Toxoplasma gondii cathepsin B 0.0572 0.3333 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0101 0.0347 0.0347
Leishmania major cathepsin L-like protease 0.0336 0.184 0.552
Leishmania major cathepsin L-like protease 0.0336 0.184 0.552
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.0611 1
Echinococcus multilocularis cysteine protease 0.0336 0.184 0.1836
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.1553 0.8077
Brugia malayi Cathepsin L-like precursor 0.0336 0.184 0.184
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0572 0.3333 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0431 0.2436 0.7311
Onchocerca volvulus 0.0241 0.1235 0.5946
Onchocerca volvulus 0.0336 0.184 1
Leishmania major cathepsin L-like protease 0.0431 0.2436 0.7311
Plasmodium falciparum serine repeat antigen 9 0.0101 0.0347 0.1888
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0431 0.2436 0.7311
Trypanosoma cruzi cysteine proteinase, putative 0.0196 0.0952 0.0952
Plasmodium falciparum serine repeat antigen 2 0.0101 0.0347 0.1888
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0101 0.0347 0.0032
Toxoplasma gondii cathepsin CPC2 0.0101 0.0347 0.1042
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0101 0.0347 0.0032
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0101 0.0347 0.0032
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0101 0.0347 0.1888
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0196 0.0952 0.2857
Brugia malayi Cathepsin L-like precursor 0.0336 0.184 0.184
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1553 0.4038
Leishmania major cathepsin L-like protease 0.0336 0.184 0.552
Trypanosoma brucei cysteine peptidase C (CPC) 0.0572 0.3333 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.0611 1
Trypanosoma cruzi cruzipain precursor, putative 0.0431 0.2436 0.2436
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0336 0.184 0.4999
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0241 0.1235 0.2972
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0196 0.0952 0.0657
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0336 0.184 0.4999
Loa Loa (eye worm) cathepsin B 0.0572 0.3333 0.3333
Plasmodium falciparum serine repeat antigen 5 0.0101 0.0347 0.1888
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0101 0.0347 0.1888
Brugia malayi Papain family cysteine protease containing protein 0.0196 0.0952 0.0952
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.037 0.6063
Entamoeba histolytica cysteine proteinase, putative 0.0336 0.184 1
Onchocerca volvulus Cathepsin L homolog 0.0336 0.184 1
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0101 0.0347 0.0347
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0196 0.0952 0.2857
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0572 0.3333 0.3115
Loa Loa (eye worm) hypothetical protein 0.0101 0.0347 0.0347
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0336 0.184 0.4999
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Onchocerca volvulus 0.0336 0.184 1
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0431 0.2436 0.7311
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Plasmodium vivax vivapain-2 0.0336 0.184 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0336 0.184 0.1836
Loa Loa (eye worm) hypothetical protein 0.0241 0.1235 0.1235
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Brugia malayi Cathepsin L-like precursor 0.0336 0.184 0.184
Loa Loa (eye worm) hypothetical protein 0.0241 0.1235 0.1235
Brugia malayi cathepsin Z-like cysteine proteinase 0.0101 0.0347 0.0347
Entamoeba histolytica cysteine proteinase, putative 0.0196 0.0952 0.4054
Loa Loa (eye worm) hypothetical protein 0.0101 0.0347 0.0347
Onchocerca volvulus Cathepsin F homolog 0.0336 0.184 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0101 0.0347 0.0347
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0101 0.0347 0.1888
Schistosoma mansoni cathepsin F (C01 family) 0.0336 0.184 0.1573
Plasmodium vivax vivapain-1 0.0196 0.0952 0.5177
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0101 0.0347 0.1888
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.037 0.6063
Brugia malayi cathepsin L precursor 0.0101 0.0347 0.0347
Schistosoma mansoni cathepsin S (C01 family) 0.0101 0.0347 0.0032
Leishmania major cysteine peptidase A (CPA) 0.0336 0.184 0.552
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1553 0.4038
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.1553 0.8077
Echinococcus granulosus cathepsin L 0.0196 0.0952 0.0949
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0101 0.0347 0.1888
Loa Loa (eye worm) hypothetical protein 0.0096 0.0316 0.0316
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0196 0.0952 0.0952
Entamoeba histolytica cysteine proteinase, putative 0.0196 0.0952 0.4054
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1553 0.4038
Leishmania major cathepsin L-like protease 0.0336 0.184 0.552
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0431 0.2436 0.7311
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0336 0.184 0.4999
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0431 0.2436 0.7311
Loa Loa (eye worm) hypothetical protein 0.0096 0.0316 0.0316
Trypanosoma cruzi cysteine peptidase, putative 0.0096 0.0316 0.0316
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0431 0.2436 0.7311
Entamoeba histolytica cysteine proteinase, putative 0.0241 0.1235 0.5946
Echinococcus granulosus cathepsin L cysteine protease 0.0196 0.0952 0.0949
Loa Loa (eye worm) fibroinase 0.0336 0.184 0.184
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0241 0.1235 0.2972
Toxoplasma gondii cathepsin CPL 0.0336 0.184 0.552
Entamoeba histolytica cysteine proteinase, putative 0.0336 0.184 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0336 0.184 0.4999
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0336 0.184 0.4999
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0196 0.0952 0.2027
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.037 0.6063
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0431 0.2436 0.7311
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0336 0.184 0.4999
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0101 0.0347 0.0347
Plasmodium vivax unspecified product 0.0096 0.0316 0.1718
Onchocerca volvulus 0.0336 0.184 1
Leishmania major cathepsin L-like protease 0.0336 0.184 0.552
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0336 0.184 0.4999
Echinococcus granulosus cathepsin l cysteine peptidase 0.0336 0.184 0.1836
Onchocerca volvulus 0.0336 0.184 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0431 0.2436 0.7311
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1553 0.4038
Echinococcus granulosus cathepsin l1 0.0241 0.1235 0.1231
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0101 0.0347 0.1888
Trypanosoma cruzi major cysteine proteinase, putative 0.0101 0.0347 0.0347
Brugia malayi Cathepsin L-like precursor 0.0096 0.0316 0.0316
Plasmodium falciparum serine repeat antigen 8 0.0101 0.0347 0.1888
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0444 0.7267
Plasmodium vivax unspecified product 0.0101 0.0347 0.1888
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0336 0.184 0.4999
Entamoeba histolytica cysteine proteinase, putative 0.0196 0.0952 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0196 0.0952 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0336 0.184 0.1836
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0101 0.0347 0.1888
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Loa Loa (eye worm) hypothetical protein 0.0096 0.0316 0.0316
Brugia malayi cathepsin F-like cysteine proteinase 0.0101 0.0347 0.0347
Brugia malayi cathepsin L-like precursor 0.0241 0.1235 0.1235
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0808 0.4821 0.4819
Loa Loa (eye worm) hypothetical protein 0.0101 0.0347 0.0347
Brugia malayi Cathepsin L-like precursor 0.0241 0.1235 0.1235
Echinococcus multilocularis cathepsin L 0.0101 0.0347 0.0344
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0101 0.0347 0.0347
Trypanosoma cruzi cysteine protease, putative 0.0196 0.0952 0.0952
Trypanosoma cruzi cysteine peptidase, putative 0.0431 0.2436 0.2436
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Toxoplasma gondii preprocathepsin c precursor, putative 0.0101 0.0347 0.1042
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0101 0.0347 0.1888
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0336 0.184 0.184
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Plasmodium falciparum serine repeat antigen 7 0.0101 0.0347 0.1888
Plasmodium vivax vivapain-2 0.0336 0.184 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0196 0.0952 0.2027
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1553 0.4038
Plasmodium falciparum serine repeat antigen 1 0.0101 0.0347 0.1888
Trypanosoma cruzi cysteine peptidase, putative 0.0431 0.2436 0.2436
Plasmodium vivax serine-repeat antigen (SERA) 0.0101 0.0347 0.1888
Echinococcus multilocularis cathepsin L cysteine protease 0.0336 0.184 0.1836
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Schistosoma mansoni cathepsin B (C01 family) 0.0101 0.0347 0.0032
Leishmania major cathepsin L-like protease 0.0431 0.2436 0.7311
Trypanosoma cruzi cysteine peptidase, putative 0.0336 0.184 0.184
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0444 0.3059
Plasmodium falciparum cysteine proteinase falcipain 1 0.0196 0.0952 0.5177
Plasmodium vivax serine-repeat antigen (SERA) 0.0101 0.0347 0.1888
Loa Loa (eye worm) hypothetical protein 0.0101 0.0347 0.0347
Echinococcus multilocularis cathepsin L cysteine protease 0.0336 0.184 0.1836
Toxoplasma gondii cathepsin CPC1 0.0101 0.0347 0.1042
Trypanosoma cruzi cysteine peptidase, putative 0.0196 0.0952 0.0952
Loa Loa (eye worm) cysteine protease 0.0336 0.184 0.184
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.037 0.6063
Loa Loa (eye worm) hypothetical protein 0.0336 0.184 0.184
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0431 0.2436 0.7311
Trypanosoma cruzi major cysteine proteinase, putative 0.0195 0.0944 0.0944
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Giardia lamblia Cathepsin B precursor 0.0572 0.3333 1
Plasmodium falciparum serine repeat antigen 3 0.0101 0.0347 0.1888
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0101 0.0347 0.1888
Onchocerca volvulus 0.0336 0.184 1
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0336 0.184 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0336 0.184 0.1836
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0101 0.0347 0.1888
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.037 0.6063
Brugia malayi Cathepsin L-like precursor 0.0336 0.184 0.184
Onchocerca volvulus 0.0336 0.184 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0336 0.184 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0444 0.7267
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0101 0.0347 0.1888
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Onchocerca volvulus Cathepsin L homolog 0.0336 0.184 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Trypanosoma cruzi cysteine peptidase, putative 0.0431 0.2436 0.2436
Brugia malayi Cathepsin L-like precursor 0.0336 0.184 0.184
Leishmania major cathepsin L-like protease 0.0431 0.2436 0.7311
Trypanosoma cruzi cysteine proteinase, putative 0.0196 0.0952 0.0952
Entamoeba histolytica cysteine protease, putative 0.0336 0.184 1
Treponema pallidum fructose-bisphosphate aldolase 0.0291 0.1553 0.5
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0101 0.0347 0.0032
Brugia malayi cathepsin L-like cysteine proteinase 0.0101 0.0347 0.0347
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0096 0.0316 0.0316
Plasmodium vivax unspecified product 0.0196 0.0952 0.5177
Giardia lamblia Cathepsin B precursor 0.0572 0.3333 1
Schistosoma mansoni cathepsin C 0.0101 0.0347 0.0032
Brugia malayi cathepsin F-like cysteine proteinase 0.0096 0.0316 0.0316
Brugia malayi Papain family cysteine protease containing protein 0.0196 0.0952 0.0952
Brugia malayi Cathepsin L-like cysteine proteinase 0.0241 0.1235 0.1235
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Plasmodium falciparum serine repeat antigen 6 0.0101 0.0347 0.1888
Schistosoma mansoni cathepsin F (C01 family) 0.0336 0.184 0.1573
Entamoeba histolytica cysteine protease, putative 0.0196 0.0952 0.4054
Brugia malayi Cathepsin L-like precursor 0.0336 0.184 0.184
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0336 0.184 0.4999
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0431 0.2436 0.7311
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0101 0.0347 0.0032
Echinococcus granulosus cathepsin L 0.0101 0.0347 0.0344
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0444 0.7267
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0336 0.184 0.184
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0196 0.0952 0.0657
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0336 0.184 0.4999
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0335 0.1831 0.1831
Onchocerca volvulus 0.0336 0.184 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0101 0.0347 0.0032
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0336 0.184 0.4999
Brugia malayi Papain family cysteine protease containing protein 0.0101 0.0347 0.0347
Giardia lamblia Cathepsin B precursor 0.0572 0.3333 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0336 0.184 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 100 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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