Detailed information for compound 40795

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 813.007 | Formula: C39H62F2N6O8S
  • H donors: 5 H acceptors: 7 LogP: 5.94 Rotable bonds: 25
    Rule of 5 violations (Lipinski): 2
  • SMILES: C=CC[C@@H](C(=O)N[C@H](C(C(C(=O)NC[C@H](CC)C)(F)F)O)CC1CCCCC1)NC(=O)[C@@H](NS(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C)Cc1ccccc1
  • InChi: 1S/C39H62F2N6O8S/c1-7-15-30(34(49)44-31(24-28-16-11-9-12-17-28)33(48)39(40,41)36(51)42-26-27(3)8-2)43-35(50)32(25-29-18-13-10-14-19-29)45-56(53,54)47-22-20-46(21-23-47)37(52)55-38(4,5)6/h7,10,13-14,18-19,27-28,30-33,45,48H,1,8-9,11-12,15-17,20-26H2,2-6H3,(H,42,51)(H,43,50)(H,44,49)/t27-,30-,31-,32-,33?/m0/s1
  • InChiKey: XEJQSPNBNGMTCS-CVQLGRIRSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Cathepsin D Starlite/ChEMBL References
Homo sapiens renin Starlite/ChEMBL References
Trypanosoma cruzi trypanothione reductase, putative Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major 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
Plasmodium falciparum plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium vivax plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum glutathione reductase 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 infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin I Get druggable targets OG5_126885 All targets in OG5_126885
Babesia bovis eukaryotic aspartyl protease family protein Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium knowlesi aspartyl protease, putative Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl protease ASP1 Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Renin, related Get druggable targets OG5_126885 All targets in OG5_126885
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Cryptosporidium hominis aspartyl protease precursor Get druggable targets OG5_126885 All targets in OG5_126885
Brugia malayi Thioredoxin 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
Plasmodium berghei plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii plasmepsin Get druggable targets OG5_126885 All targets in OG5_126885
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Pepsinogen A1, related Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl proteinase (eimepsin), putative Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva thioredoxin 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) hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Leishmania donovani 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
Plasmodium falciparum 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
Cryptosporidium parvum membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium knowlesi thioredoxin 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
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva cathepsin E, putative Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) thioredoxin 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
Trypanosoma brucei gambiense 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
Cryptosporidium hominis 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 falciparum plasmepsin II Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva pepsinogen, putative Get druggable targets OG5_126885 All targets in OG5_126885
Trypanosoma cruzi trypanothione 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
Leishmania mexicana 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
Neospora caninum MGC84926 protein, related 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
Loa Loa (eye worm) aspartic protease BmAsp-2 Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K01379 cathepsin D [EC3.4.23.5], putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma japonicum Cathepsin D precursor, putative Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus granulosus cathepsin d lysosomal aspartyl protease Get druggable targets OG5_126885 All targets in OG5_126885
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax aspartyl proteinase, putative Get druggable targets OG5_126885 All targets in OG5_126885
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium berghei plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Leishmania braziliensis trypanothione 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
Plasmodium yoelii pepsinogen A-related Cathepsin D   390 aa 387 aa 25.8 %
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein Cathepsin D   390 aa 383 aa 25.1 %
Schistosoma mansoni memapsin-2 (A01 family) Cathepsin D   390 aa 438 aa 20.3 %
Candida albicans secretory aspartyl proteinase SAP5p Cathepsin D   390 aa 370 aa 24.9 %
Toxoplasma gondii aspartyl protease ASP3 Cathepsin D   390 aa 345 aa 32.2 %
Toxoplasma gondii aspartyl protease Cathepsin D   390 aa 377 aa 30.2 %
Plasmodium berghei plasmepsin VII Cathepsin D   390 aa 377 aa 26.0 %
Onchocerca volvulus Putative 6-pyruvoyl tetrahydrobiopterin synthase Cathepsin D   390 aa 395 aa 30.9 %
Plasmodium knowlesi aspartyl protease, putative Cathepsin D   390 aa 378 aa 26.7 %
Candida albicans secretory aspartyl proteinase SAP8p Cathepsin D   390 aa 365 aa 25.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast trypanothione reductase, putative 492 aa 548 aa 21.5 %
Plasmodium knowlesi eukaryotic aspartyl protease, putative Cathepsin D   390 aa 350 aa 29.1 %
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) Cathepsin D   390 aa 388 aa 33.5 %
Candida albicans secretory aspartyl proteinase SAP5p Cathepsin D   390 aa 370 aa 24.9 %
Schistosoma japonicum Lysosomal aspartic protease precursor, putative Cathepsin D   390 aa 335 aa 32.5 %
Plasmodium yoelii Eukaryotic aspartyl protease, putative Cathepsin D   390 aa 354 aa 27.4 %
Candida albicans secretory aspartyl proteinase SAP9p, related to SAP10 Cathepsin D   390 aa 315 aa 25.1 %
Onchocerca volvulus Cathepsin D   390 aa 329 aa 22.5 %
Candida albicans secretory aspartyl proteinase SAP10p, related to SAP9p Cathepsin D   390 aa 350 aa 23.7 %
Babesia bovis aspartyl protease, putative Cathepsin D   390 aa 336 aa 25.3 %
Neospora caninum hypothetical protein Cathepsin D   390 aa 345 aa 32.5 %
Candida albicans secretory aspartyl proteinase SAP7p Cathepsin D   390 aa 385 aa 24.4 %
Candida albicans secretory aspartyl proteinase SAP1p Cathepsin D   390 aa 386 aa 29.0 %
Plasmodium vivax aspartyl protease, putative Cathepsin D   390 aa 350 aa 28.9 %
Candida albicans secretory aspartyl proteinase SAP10p, related to SAP9p Cathepsin D   390 aa 350 aa 23.7 %
Neospora caninum Cathepsin D enzyme (EC 3.4.23.5), related Cathepsin D   390 aa 376 aa 27.7 %
Candida albicans secretory aspartyl proteinase SAP2p Cathepsin D   390 aa 378 aa 27.5 %
Candida albicans secretory aspartyl proteinase SAP8p Cathepsin D   390 aa 365 aa 25.8 %
Plasmodium berghei plasmepsin X Cathepsin D   390 aa 354 aa 27.7 %
Candida albicans secretory aspartyl proteinase SAP2p Cathepsin D   390 aa 378 aa 27.5 %
Plasmodium falciparum plasmepsin IX Cathepsin D   390 aa 410 aa 26.3 %
Candida albicans secretory aspartyl proteinase SAP4p Cathepsin D   390 aa 370 aa 27.0 %
Drosophila melanogaster CG31926 gene product from transcript CG31926-RB Cathepsin D   390 aa 346 aa 37.9 %
Candida albicans secretory aspartyl proteinase SAP3p Cathepsin D   390 aa 370 aa 25.9 %
Cryptosporidium parvum secreted pepsinogen like aspartyl protease having a signal peptide Cathepsin D   390 aa 387 aa 24.0 %
Plasmodium vivax aspartyl protease, putative Cathepsin D   390 aa 376 aa 26.9 %
Plasmodium falciparum plasmepsin III Cathepsin D   390 aa 344 aa 27.0 %
Loa Loa (eye worm) aspartic protease BmAsp-1 Cathepsin D   390 aa 417 aa 26.9 %
Plasmodium knowlesi plasmepsin V, putative Cathepsin D   390 aa 436 aa 21.8 %
Candida albicans secretory aspartyl proteinase SAP1p Cathepsin D   390 aa 386 aa 29.0 %
Candida albicans secretory aspartyl proteinase SAP7p Cathepsin D   390 aa 385 aa 24.4 %
Plasmodium berghei plasmepsin IX, putative Cathepsin D   390 aa 403 aa 25.8 %
Candida albicans secretory aspartyl proteinase SAP9p, related to SAP10 Cathepsin D   390 aa 315 aa 25.1 %
Candida albicans secretory aspartyl proteinase SAP3p Cathepsin D   390 aa 370 aa 25.9 %
Plasmodium falciparum plasmepsin VII Cathepsin D   390 aa 379 aa 24.0 %
Onchocerca volvulus Cathepsin D   390 aa 392 aa 30.1 %
Plasmodium falciparum plasmepsin X Cathepsin D   390 aa 351 aa 28.8 %
Candida albicans secretory aspartyl proteinase SAP4p Cathepsin D   390 aa 370 aa 27.0 %
Plasmodium falciparum plasmepsin X renin 406 aa 352 aa 26.4 %
Candida albicans secretory aspartyl proteinase SAP6p Cathepsin D   390 aa 383 aa 25.8 %
Brugia malayi aspartic protease BmAsp-1, identical Cathepsin D   390 aa 406 aa 29.6 %
Dictyostelium discoideum hypothetical protein Cathepsin D   390 aa 374 aa 24.9 %
Babesia bovis aspartyl protease, putative Cathepsin D   390 aa 339 aa 31.3 %
Onchocerca volvulus Sphingomyelin phosphodiesterase 1 homolog Cathepsin D   390 aa 394 aa 48.5 %
Candida albicans secretory aspartyl proteinase SAP6p Cathepsin D   390 aa 385 aa 26.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0248 0.2657 0.2657
Leishmania major aldo-keto reductase-like protein 0.0856 1 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0118 0.1088 0.1088
Echinococcus granulosus hypothetical protein 0.0856 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0248 0.2657 0.1761
Trichomonas vaginalis aldo-keto reductase, putative 0.0248 0.2657 0.1761
Plasmodium vivax aspartyl proteinase, putative 0.0118 0.1088 0.4094
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0856 1 1
Mycobacterium ulcerans oxidoreductase 0.0856 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0248 0.2657 0.1761
Schistosoma mansoni cathepsin D (A01 family) 0.0348 0.3864 0.3864
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0856 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0248 0.2657 0.2203
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0856 1 1
Onchocerca volvulus 0.0856 1 1
Brugia malayi Thioredoxin reductase 0.0076 0.0582 0.0582
Plasmodium falciparum aldehyde reductase, putative 0.0248 0.2657 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0856 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Echinococcus multilocularis aldo keto reductase 0.0856 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0856 1 1
Mycobacterium tuberculosis Conserved protein 0.0248 0.2657 0.2203
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0856 1 1
Toxoplasma gondii aldose reductase, putative 0.0856 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0248 0.2657 1
Mycobacterium leprae Conserved hypothetical protein 0.0608 0.7006 0.5922
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0856 1 1
Loa Loa (eye worm) hypothetical protein 0.0856 1 1
Loa Loa (eye worm) glutathione reductase 0.0076 0.0582 0.0582
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0248 0.2657 0.2203
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Plasmodium falciparum plasmepsin IV 0.0118 0.1088 0.4094
Loa Loa (eye worm) oxidoreductase 0.0856 1 1
Loa Loa (eye worm) oxidoreductase 0.0856 1 1
Entamoeba histolytica aldose reductase, putative 0.0856 1 1
Giardia lamblia Aldose reductase 0.0856 1 0.5
Trypanosoma brucei prostaglandin f synthase 0.0856 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0856 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0856 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0856 1 1
Schistosoma mansoni aldo-keto reductase 0.0856 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0248 0.2657 0.1761
Echinococcus granulosus aldo keto reductase 0.0856 1 1
Echinococcus multilocularis aldehyde reductase 0.0608 0.7006 0.6821
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0118 0.1088 0.0537
Onchocerca volvulus 0.0856 1 1
Onchocerca volvulus 0.0248 0.2657 0.2657
Onchocerca volvulus 0.0856 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0856 1 1
Echinococcus granulosus aldo keto reductase 0.0856 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0856 1 1
Schistosoma mansoni aldo-keto reductase 0.0856 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0248 0.2657 0.2203
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0856 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0856 1 1
Plasmodium vivax aldehyde reductase, putative 0.0248 0.2657 1
Loa Loa (eye worm) oxidoreductase 0.0856 1 1
Echinococcus multilocularis aldo keto reductase 0.0856 1 1
Echinococcus granulosus aldo keto reductase 0.0856 1 1
Plasmodium vivax glutathione reductase, putative 0.0076 0.0582 0.2192
Echinococcus multilocularis aldo keto reductase 0.0856 1 1
Onchocerca volvulus 0.0856 1 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0118 0.1088 0.0537
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0248 0.2657 0.2657
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0856 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0856 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0856 1 1
Toxoplasma gondii aspartyl protease ASP1 0.0118 0.1088 0.1088
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0118 0.1088 0.1088
Plasmodium falciparum plasmepsin II 0.0118 0.1088 0.4094
Loa Loa (eye worm) thioredoxin reductase 0.0076 0.0582 0.0582
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0118 0.1088 0.1088
Loa Loa (eye worm) oxidoreductase 0.0856 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0248 0.2657 0.1761
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0856 1 1
Plasmodium falciparum plasmepsin I 0.0118 0.1088 0.4094
Giardia lamblia Aldose reductase 0.0856 1 0.5
Schistosoma mansoni potassium channel beta 0.0248 0.2657 0.2657
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0856 1 1
Brugia malayi NADH-dependent xylose reductase 0.0248 0.2657 0.2657
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0856 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0856 1 1
Leishmania major prostaglandin f synthase, putative 0.0856 1 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.1088 0.1088
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0248 0.2657 0.2657
Toxoplasma gondii thioredoxin reductase 0.0076 0.0582 0.0582
Plasmodium vivax plasmepsin IV, putative 0.0118 0.1088 0.4094
Brugia malayi glutathione reductase 0.0076 0.0582 0.0582
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0856 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0856 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0856 1 1
Echinococcus granulosus aldehyde reductase 0.0608 0.7006 0.6821
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0856 1 1
Plasmodium falciparum thioredoxin reductase 0.0076 0.0582 0.2192
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0856 1 1
Toxoplasma gondii aldo-keto reductase 0.0248 0.2657 0.2657
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0856 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0856 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0856 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0856 1 1
Plasmodium falciparum glutathione reductase 0.0076 0.0582 0.2192
Onchocerca volvulus 0.0856 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0856 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0856 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0076 0.0582 0.2192
Trypanosoma cruzi aldo-keto reductase 0.0856 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0248 0.2657 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0248 0.2657 0.2657
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0856 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Onchocerca volvulus 0.0856 1 1
Loa Loa (eye worm) oxidoreductase 0.0856 1 1
Echinococcus multilocularis aldo keto reductase 0.0856 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Schistosoma mansoni pol-related 0.0856 1 1
Schistosoma mansoni cathepsin D (A01 family) 0.0348 0.3864 0.3864
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0856 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0248 0.2657 0.2203
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0856 1 1
Entamoeba histolytica aldose reductase, putative 0.0856 1 1
Entamoeba histolytica aldose reductase, putative 0.0856 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0856 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0248 0.2657 0.2203
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0248 0.2657 0.2203
Plasmodium falciparum plasmepsin VI 0.0118 0.1088 0.4094

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.49 nM The concentration of the compound producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay. ChEMBL. 1732531
IC50 (binding) = 1.49 nM The concentration of the compound producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay. ChEMBL. 1732531
IC50 (binding) = 259 nM Inhibitory activity against bovine Cathepsin D ChEMBL. 1732531
IC50 (binding) = 259 nM Inhibitory activity against bovine Cathepsin D ChEMBL. 1732531
Ratio (binding) = 259 Ratio between IC50 cathepsin vs IC50 renin ChEMBL. 1732531

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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