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  


Substructure search Similarity search

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
Leishmania infantum trypanothione 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
Toxoplasma gondii thioredoxin reductase 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 berghei thioredoxin reductase, putative 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
Cryptosporidium parvum thioredoxin reductase 1 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
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 vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin 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 vivax glutathione reductase, putative 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
Echinococcus granulosus thioredoxin glutathione 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase 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
Plasmodium knowlesi thioredoxin 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
Neospora caninum MGC84926 protein, related 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
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione 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
Trypanosoma congolense 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
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin 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
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Obtained from network model

Ranking Plot

Putative Targets List

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

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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