Detailed information for compound 1472953

Basic information

Technical information
  • TDR Targets ID: 1472953
  • Name: N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiaz ol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5- dimethoxybenzamide
  • MW: 499.579 | Formula: C25H29N3O6S
  • H donors: 2 H acceptors: 3 LogP: 4.38 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc(c1)C(=O)N[C@H](C(=O)Nc1scc(n1)c1cc(OC)ccc1OC)C(C)C
  • InChi: 1S/C25H29N3O6S/c1-14(2)22(27-23(29)15-9-17(32-4)11-18(10-15)33-5)24(30)28-25-26-20(13-35-25)19-12-16(31-3)7-8-21(19)34-6/h7-14,22H,1-6H3,(H,27,29)(H,26,28,30)/t22-/m0/s1
  • InChiKey: CEXGUVZGDPKWOT-QFIPXVFZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(1S)-1-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide
  • N-[(1S)-1-[[[4-(2,5-dimethoxyphenyl)-2-thiazolyl]amino]-oxomethyl]-2-methylpropyl]-3,5-dimethoxybenzamide
  • N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]-3,5-dimethoxy-benzamide
  • MLS001003347
  • SMR000344862
  • T5282054

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
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
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii glutathione 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
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major trypanothione 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
Brugia malayi Thioredoxin 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
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei trypanothione 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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) thioredoxin 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 vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum trypanothione 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei thioredoxin reductase, 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
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
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 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0088 0.0113
Schistosoma mansoni hypothetical protein 0.0043 0.0151 0.0064
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Plasmodium vivax methionine aminopeptidase 1c, putative 0.0108 0.0526 0.0478
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0108 0.0526 0.0442
Plasmodium falciparum methionine aminopeptidase 1c, putative 0.0108 0.0526 0.0478
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0108 0.0526 0.0478
Loa Loa (eye worm) methionine aminopeptidase type I 0.135 0.7736 1
Echinococcus granulosus Proliferation associated protein 2G4 0.0108 0.0526 0.0442
Trypanosoma cruzi Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative 0.0108 0.0526 0.0478
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0856 0.4866 1
Leishmania major methionine aminopeptidase 2, putative 0.0108 0.0526 0.0478
Brugia malayi Thioredoxin reductase 0.0046 0.0164 0.0212
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0108 0.0526 1
Entamoeba histolytica hypothetical protein, conserved 0.0108 0.0526 1
Echinococcus granulosus Xaa Pro aminopeptidase 3 0.0108 0.0526 0.0442
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.135 0.7736 1
Mycobacterium tuberculosis Probable reductase 0.0104 0.0504 0.0722
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Entamoeba histolytica methionine aminopeptidase, putative 0.0108 0.0526 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Brugia malayi Methionine aminopeptidase protein type I 0.135 0.7736 1
Loa Loa (eye worm) DNA-binding protein 0.0108 0.0526 0.068
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Trypanosoma brucei Metallopeptidase family M24, putative 0.0108 0.0526 0.0478
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0108 0.0526 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Trypanosoma brucei hypothetical protein, conserved 0.0495 0.277 0.3441
Mycobacterium tuberculosis Probable cytoplasmic peptidase PepQ 0.0108 0.0526 0.0771
Toxoplasma gondii transcriptional elongation factor FACT140 0.0108 0.0526 0.0478
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0856 0.4866 0.6209
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Schistosoma mansoni microtubule-associated protein tau 0.174 1 1
Echinococcus granulosus FACT complex subunit SPT16 0.0108 0.0526 0.0442
Trypanosoma cruzi aminopeptidase P1, putative 0.0108 0.0526 0.0478
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.135 0.7736 0.7716
Trypanosoma cruzi hypothetical protein, conserved 0.0495 0.277 0.3441
Echinococcus granulosus methionine aminopeptidase type I 0.0108 0.0526 0.0442
Onchocerca volvulus Dipeptidase C homolog 0.0108 0.0526 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0526 0.068
Echinococcus multilocularis Xaa Pro aminopeptidase 3 0.0108 0.0526 0.0442
Toxoplasma gondii methionine aminopeptidase 0.0856 0.4866 0.6209
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0088 0.0113
Loa Loa (eye worm) hypothetical protein 0.0033 0.0088 0.0113
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0167 0.008
Echinococcus multilocularis xaa pro aminopeptidase 0.0108 0.0526 0.0442
Loa Loa (eye worm) glutathione reductase 0.0046 0.0164 0.0212
Toxoplasma gondii proliferation-associated protein 2G4, putative 0.0108 0.0526 0.0478
Leishmania major hypothetical protein, conserved 0.0108 0.0526 0.0478
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0108 0.0526 0.0478
Loa Loa (eye worm) initiation factor 2-associated protein 0.0108 0.0526 0.068
Echinococcus multilocularis xaa Pro dipeptidase 0.0108 0.0526 0.0442
Echinococcus granulosus xaa pro aminopeptidase 0.0108 0.0526 0.0442
Echinococcus granulosus methionyl aminopeptidase 2 0.0108 0.0526 0.0442
Plasmodium vivax methionine aminopeptidase 2, putative 0.0108 0.0526 0.0478
Plasmodium vivax methionine aminopeptidase 1b, putative 0.135 0.7736 1
Toxoplasma gondii hypothetical protein 0.0495 0.277 0.3441
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0108 0.0526 0.0478
Plasmodium falciparum methionine aminopeptidase 2 0.0108 0.0526 0.0478
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0504 0.0722
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0108 0.0526 0.0442
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0088 0.0113
Trypanosoma brucei methionine aminopeptidase, putative 0.135 0.7736 1
Trypanosoma cruzi hypothetical protein, conserved 0.0495 0.277 0.3441
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.135 0.7736 1
Brugia malayi initiation factor 2-associated protein. 0.0108 0.0526 0.068
Plasmodium falciparum aminopeptidase P 0.0108 0.0526 0.0478
Plasmodium falciparum HP12 protein homolog, putative 0.0495 0.277 0.3441
Giardia lamblia Methionine aminopeptidase 0.0108 0.0526 0.5
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0108 0.0526 0.0478
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.135 0.7736 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0151 0.0064
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0151 0.0064
Plasmodium falciparum proliferation-associated protein 2g4, putative 0.0108 0.0526 0.0478
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0856 0.4866 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0856 0.4866 0.6209
Toxoplasma gondii peptidase D, putative 0.0108 0.0526 0.0478
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0571 0.0155
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Toxoplasma gondii methionine aminopeptidase 0.135 0.7736 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0571 0.0866
Brugia malayi glutathione reductase 0.0046 0.0164 0.0212
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0856 0.4866 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Brugia malayi metallopeptidase family M24 containing protein 0.0108 0.0526 0.068
Leishmania major transcription factor-like protein 0.0108 0.0526 0.0478
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0108 0.0526 0.0478
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0856 0.4866 0.482
Echinococcus multilocularis Proliferation associated protein 2G4 0.0108 0.0526 0.0442
Trypanosoma cruzi aminopeptidase P, putative 0.0108 0.0526 0.0478
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0856 0.4866 0.482
Echinococcus granulosus xaa Pro dipeptidase 0.0108 0.0526 0.0442
Toxoplasma gondii creatinase domain-containing protein 0.0108 0.0526 0.0478
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0167 0.008
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0108 0.0526 0.0442
Trypanosoma brucei Facilitates chromatin transcription complex subunit spt16 0.0108 0.0526 0.0478
Brugia malayi metallopeptidase family M24 containing protein 0.0108 0.0526 0.068
Echinococcus granulosus xaa Pro dipeptidase 0.0108 0.0526 0.0442
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0856 0.4866 1
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0108 0.0526 0.0442
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0108 0.0526 0.0478
Plasmodium falciparum FACT complex subunit SPT16, putative 0.0108 0.0526 0.0478
Plasmodium vivax hypothetical protein, conserved 0.0495 0.277 0.3441
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.135 0.7736 1
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.135 0.7736 1
Entamoeba histolytica peptidase, putative 0.0108 0.0526 1
Plasmodium vivax peptidase, putative 0.0108 0.0526 0.0478
Plasmodium vivax proliferation-associated protein 2g4, putative 0.0108 0.0526 0.0478
Leishmania major aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.135 0.7736 0.7716
Schistosoma mansoni peptidase 0.0108 0.0526 0.0442
Loa Loa (eye worm) metallopeptidase family M24 containing protein 0.0108 0.0526 0.068
Echinococcus multilocularis microtubule associated protein 2 0.174 1 1
Brugia malayi hypothetical protein 0.0043 0.0151 0.0195
Giardia lamblia Xaa-Pro dipeptidase 0.0108 0.0526 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0151 0.0064
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0108 0.0526 0.0442
Leishmania major hypothetical protein, conserved 0.0495 0.277 0.3441
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0504 0.0722
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0856 0.4866 0.6209
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0108 0.0526 0.0478
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0571 0.0866
Brugia malayi metallopeptidase family M24 containing protein 0.0108 0.0526 0.068
Onchocerca volvulus FACT complex subunit SPT16 homolog 0.0108 0.0526 1
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Loa Loa (eye worm) hypothetical protein 0.0032 0.0084 0.0109
Loa Loa (eye worm) hypothetical protein 0.0108 0.0526 0.068
Entamoeba histolytica aminopeptidase, putative 0.0108 0.0526 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Chlamydia trachomatis methionine aminopeptidase 0.0856 0.4866 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.135 0.7736 1
Mycobacterium leprae Probable cytoplasmic peptidase PepQ 0.0108 0.0526 0.0052
Onchocerca volvulus 0.0108 0.0526 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0504 0.0722
Plasmodium vivax FACT complex subunit SPT16, putative 0.0108 0.0526 0.0478
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0856 0.4866 0.482
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0108 0.0526 0.0478
Giardia lamblia Xaa-Pro dipeptidase 0.0108 0.0526 0.5
Brugia malayi DNA-binding protein, 42 kDa containing protein 0.0108 0.0526 0.068
Loa Loa (eye worm) hypothetical protein 0.0108 0.0526 0.068
Treponema pallidum methionine aminopeptidase (map) 0.0856 0.4866 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0504 0.0722
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0504 0.0722
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0108 0.0526 0.0442
Echinococcus multilocularis FACT complex subunit SPT16 0.0108 0.0526 0.0442
Echinococcus multilocularis methionine aminopeptidase, type I 0.0108 0.0526 0.0442
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0856 0.4866 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0571 0.0866
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0108 0.0526 0.0442
Echinococcus multilocularis xaa Pro dipeptidase 0.0108 0.0526 0.0442
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0856 0.4866 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.0108 0.0526 0.0442
Mycobacterium ulcerans methionine aminopeptidase 0.0856 0.4866 1
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0164 0.0212
Mycobacterium tuberculosis Dipeptidase PepE 0.0108 0.0526 0.0771
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0108 0.0526 0.5
Brugia malayi intermediate filament protein 0.0033 0.0088 0.0113

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3162 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) 5.1735 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.
 
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

No literature references available for this target.

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