Detailed information for compound 1406174

Basic information

Technical information
  • TDR Targets ID: 1406174
  • Name: N-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxop yridin-3-yl]-3-methylbutanamide
  • MW: 316.37 | Formula: C18H21FN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.55 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=O)Nc1cc(C)cn(c1=O)Cc1cccc(c1)F)C
  • InChi: 1S/C18H21FN2O2/c1-12(2)7-17(22)20-16-8-13(3)10-21(18(16)23)11-14-5-4-6-15(19)9-14/h4-6,8-10,12H,7,11H2,1-3H3,(H,20,22)
  • InChiKey: UZFHLDVVEQWRJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridyl]-3-methyl-butanamide
  • N-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridyl]-3-methylbutanamide
  • N-[1-(3-fluorobenzyl)-2-keto-5-methyl-3-pyridyl]-3-methyl-butyramide
  • N-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-pyridin-3-yl]-3-methyl-butanamide
  • SMR000504289
  • ASN 10015332
  • ZINC05000919
  • MLS001210293
  • N-[1-(3-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-3-methyl-butyramide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax glutathione reductase, putative 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis thiodoxin 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii glutathione reductase 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana trypanothione 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) thioredoxin 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
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii thioredoxin 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi glutathione 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
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 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0142 0.1501 0.8736
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.0609 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0142 0.1501 0.8736
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0142 0.1501 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0966 0.8342
Entamoeba histolytica cysteine proteinase 1, putative 0.0079 0.0609 0.4054
Onchocerca volvulus 0.0142 0.1501 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0142 0.1501 0.8736
Schistosoma mansoni cathepsin F (C01 family) 0.0099 0.0893 0.1625
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0609 0.3583
Brugia malayi Cathepsin L-like precursor 0.0142 0.1501 0.2733
Plasmodium vivax vivapain-2 0.0142 0.1501 1
Plasmodium vivax unspecified product 0.0079 0.0609 0.4054
Onchocerca volvulus 0.0142 0.1501 1
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Plasmodium vivax unspecified product 0.0043 0.0099 0.066
Onchocerca volvulus 0.0142 0.1501 1
Brugia malayi Cathepsin L-like precursor 0.0142 0.1501 0.2733
Brugia malayi Cathepsin L-like cysteine proteinase 0.0099 0.0893 0.1625
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.0609 0.3019
Echinococcus granulosus cathepsin l cysteine peptidase 0.0142 0.1501 0.2733
Trypanosoma cruzi cruzipain precursor, putative 0.0142 0.1501 0.2733
Leishmania major cathepsin L-like protease 0.0142 0.1501 0.8736
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0424 0.5492 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0142 0.1501 0.2733
Echinococcus granulosus cathepsin b 0.0424 0.5492 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0142 0.1501 0.8838
Loa Loa (eye worm) ctsf protein 0.0142 0.1501 0.2733
Leishmania major cathepsin L-like protease 0.0142 0.1501 0.8736
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0142 0.1501 0.8736
Loa Loa (eye worm) cysteine protease 0.0142 0.1501 0.2733
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0142 0.1501 0.8838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Trypanosoma cruzi cysteine peptidase, putative 0.0142 0.1501 0.2733
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0146 0.0266
Entamoeba histolytica cysteine proteinase 2 0.0079 0.0609 0.4054
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0137 0.025
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0966 0.8342
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.0609 0.1108
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.0609 0.1108
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Trypanosoma cruzi cysteine peptidase, putative 0.0142 0.1501 0.2733
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0424 0.5492 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0142 0.1501 0.2733
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0043 0.0099 0.018
Echinococcus granulosus cysteine protease 0.0079 0.0609 0.1108
Onchocerca volvulus 0.0142 0.1501 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0106 0.0192
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0106 0.0192
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.113 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0142 0.1501 0.2733
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.0609 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.1501 0.8838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.1501 0.8838
Entamoeba histolytica hypothetical protein 0.0043 0.0106 0.0703
Schistosoma mansoni cathepsin F (C01 family) 0.0142 0.1501 0.2733
Loa Loa (eye worm) hypothetical protein 0.0142 0.1501 0.2733
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0424 0.5492 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0137 0.0914
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0142 0.1501 1
Entamoeba histolytica cysteine protease, putative 0.0142 0.1501 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0966 0.8342
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0142 0.1501 0.8736
Echinococcus granulosus cathepsin L 0.0079 0.0609 0.1108
Giardia lamblia Cathepsin B precursor 0.0156 0.1699 1
Brugia malayi Cathepsin L-like precursor 0.0043 0.0099 0.018
Brugia malayi Cathepsin L-like precursor 0.0099 0.0893 0.1625
Schistosoma mansoni cathepsin s 0.0043 0.0099 0.018
Echinococcus multilocularis cathepsin b 0.0424 0.5492 1
Onchocerca volvulus Cathepsin L homolog 0.0142 0.1501 1
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0142 0.1501 0.2733
Brugia malayi hypothetical protein 0.0043 0.0106 0.0192
Brugia malayi Cathepsin L-like precursor 0.0142 0.1501 0.2733
Plasmodium falciparum cysteine proteinase falcipain 1 0.0079 0.0609 0.4054
Onchocerca volvulus 0.0142 0.1501 1
Toxoplasma gondii cathepsin B 0.0156 0.1699 0.1699
Brugia malayi cathepsin B-like cysteine proteinase 0.0424 0.5492 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0156 0.1699 0.3093
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Schistosoma mansoni hypothetical protein 0.0043 0.0106 0.0192
Leishmania major cysteine peptidase A (CPA) 0.0142 0.1501 0.8736
Brugia malayi Cathepsin L-like precursor 0.0142 0.1501 0.2733
Brugia malayi Thioredoxin reductase 0.0046 0.0137 0.025
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0106 0.0192
Echinococcus multilocularis cysteine protease 0.0142 0.1501 0.2733
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.1501 0.8838
Brugia malayi cathepsin L-like precursor 0.0099 0.0893 0.1625
Leishmania major cathepsin L-like protease 0.0142 0.1501 0.8736
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0156 0.1699 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.0137 0.0137
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.1501 0.8838
Echinococcus multilocularis cathepsin L 0.0079 0.0609 0.1108
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0099 0.0893 0.1625
Plasmodium falciparum glutathione reductase 0.0046 0.0137 0.0914
Schistosoma mansoni cathepsin F (C01 family) 0.0142 0.1501 0.2733
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0966 0.8342
Trypanosoma cruzi cysteine peptidase, putative 0.0142 0.1501 0.2733
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0156 0.1699 0.3093
Loa Loa (eye worm) hypothetical protein 0.0043 0.0099 0.018
Mycobacterium tuberculosis Probable reductase 0.0104 0.0966 0.8342
Entamoeba histolytica hypothetical protein 0.0043 0.0106 0.0703
Echinococcus multilocularis cathepsin b 0.0424 0.5492 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.113 1
Entamoeba histolytica cysteine proteinase, putative 0.0142 0.1501 1
Loa Loa (eye worm) cathepsin B 0.0156 0.1699 0.3093
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.113 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 0.0893 0.5255
Brugia malayi Papain family cysteine protease containing protein 0.0142 0.1501 0.2733
Echinococcus multilocularis cysteine protease 0.0142 0.1501 0.2733
Plasmodium vivax glutathione reductase, putative 0.0046 0.0137 0.0914
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0142 0.1501 0.8736
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.0609 0.3019
Toxoplasma gondii cathepsin CPL 0.0142 0.1501 0.1501
Onchocerca volvulus 0.0142 0.1501 1
Trypanosoma cruzi cysteine proteinase, putative 0.0079 0.0609 0.1108
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Leishmania major cathepsin L-like protease 0.0142 0.1501 0.8736
Plasmodium falciparum thioredoxin reductase 0.0046 0.0137 0.0914
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.1501 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0142 0.1501 0.8736
Trypanosoma cruzi cysteine protease, putative 0.0079 0.0609 0.1108
Loa Loa (eye worm) hypothetical protein 0.0099 0.0893 0.1625
Onchocerca volvulus 0.0099 0.0893 0.5946
Entamoeba histolytica cysteine proteinase, putative 0.0099 0.0893 0.5946
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0142 0.1501 0.2733
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Loa Loa (eye worm) hypothetical protein 0.0043 0.0099 0.018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.1501 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0142 0.1501 0.8736
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.113 1
Plasmodium vivax vivapain-3 0.0079 0.0609 0.4054
Entamoeba histolytica hypothetical protein 0.0043 0.0106 0.0703
Leishmania major cathepsin L-like protease 0.0142 0.1501 0.8736
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Leishmania major cathepsin L-like protease 0.0142 0.1501 0.8736
Loa Loa (eye worm) fibroinase 0.0142 0.1501 0.2733
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 0.0893 0.5255
Loa Loa (eye worm) hypothetical protein 0.0099 0.0893 0.1625
Echinococcus granulosus cathepsin l1 0.0099 0.0893 0.1625
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0966 0.8342
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0609 0.3583
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0142 0.1501 0.8736
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0043 0.0099 0.018
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0424 0.5492 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0156 0.1699 1
Echinococcus granulosus cathepsin l1 0.0142 0.1501 0.2733
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Giardia lamblia Cathepsin B precursor 0.0156 0.1699 1
Entamoeba histolytica cysteine proteinase, putative 0.0142 0.1501 1
Entamoeba histolytica hypothetical protein 0.0043 0.0106 0.0703
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.1501 0.8838
Brugia malayi Cathepsin L-like precursor 0.0099 0.0893 0.1625
Leishmania major cathepsin L-like protease 0.0142 0.1501 0.8736
Leishmania major cathepsin L-like protease 0.0142 0.1501 0.8736
Plasmodium falciparum cysteine proteinase falcipain 3 0.0142 0.1501 1
Onchocerca volvulus Cathepsin L homolog 0.0142 0.1501 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.1501 0.8838
Loa Loa (eye worm) hypothetical protein 0.0099 0.0893 0.1625
Echinococcus granulosus cathepsin b 0.0424 0.5492 1
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.0609 0.1108
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.0609 0.1108
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0142 0.1501 0.8838
Trypanosoma cruzi cysteine proteinase, putative 0.0079 0.0609 0.1108
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Brugia malayi glutathione reductase 0.0046 0.0137 0.025
Trypanosoma brucei cysteine peptidase C (CPC) 0.0156 0.1699 1
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0079 0.0609 0.1108
Trypanosoma cruzi cysteine peptidase, putative 0.0079 0.0609 0.1108
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.0609 0.4054
Loa Loa (eye worm) glutathione reductase 0.0046 0.0137 0.025
Giardia lamblia Cathepsin B precursor 0.0156 0.1699 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.0609 0.1108
Onchocerca volvulus Cathepsin F homolog 0.0142 0.1501 1
Onchocerca volvulus 0.0142 0.1501 1
Trypanosoma cruzi cysteine peptidase, putative 0.0043 0.0099 0.018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Loa Loa (eye worm) hypothetical protein 0.0424 0.5492 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0142 0.1501 0.8736
Brugia malayi cathepsin F-like cysteine proteinase 0.0043 0.0099 0.018
Plasmodium vivax vivapain-1 0.0079 0.0609 0.4054
Plasmodium vivax vivapain-2 0.0142 0.1501 1
Trypanosoma cruzi cruzipain precursor, putative 0.0043 0.0099 0.018
Echinococcus granulosus cathepsin L cysteine proteinase 0.0142 0.1501 0.2733
Echinococcus granulosus cathepsin L cysteine protease 0.0079 0.0609 0.1108
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0424 0.5492 1
Brugia malayi Cathepsin L-like precursor 0.0142 0.1501 0.2733
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.0609 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0142 0.1501 0.2733
Loa Loa (eye worm) hypothetical protein 0.0043 0.0099 0.018
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0146 0.0266
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0137 0.025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0142 0.1501 0.8838
Trypanosoma cruzi cysteine peptidase, putative 0.0142 0.1501 0.2733
Brugia malayi Cathepsin L-like precursor 0.0142 0.1501 0.2733
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0142 0.1501 0.8736
Entamoeba histolytica cysteine protease, putative 0.0079 0.0609 0.4054

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5323 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 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) 2.9093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 42.5615 uM PUBCHEM_BIOASSAY: qHTS for antagonists of the Thyroid Stimulation Hormone Receptor: Hit Validation in Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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