Detailed information for compound 185608

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 399.568 | Formula: C21H41N3O4
  • H donors: 4 H acceptors: 4 LogP: 2.62 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCNC(=O)[C@H](NC(=O)C[C@@H](C(NC(=O)CC(C)C)CC(C)C)O)C)C
  • InChi: 1S/C21H41N3O4/c1-13(2)8-9-22-21(28)16(7)23-20(27)12-18(25)17(10-14(3)4)24-19(26)11-15(5)6/h13-18,25H,8-12H2,1-7H3,(H,22,28)(H,23,27)(H,24,26)/t16-,17?,18+/m1/s1
  • InChiKey: DPHXBGPVOJTSQU-BLAYRMRBSA-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
Sus scrofa Pepsin A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii pepsinogen A-related Get druggable targets OG5_133546 All targets in OG5_133546
Plasmodium vivax aspartyl protease, putative Get druggable targets OG5_133546 All targets in OG5_133546
Babesia bovis aspartyl protease, putative Get druggable targets OG5_133546 All targets in OG5_133546
Neospora caninum hypothetical protein Get druggable targets OG5_133546 All targets in OG5_133546
Plasmodium falciparum plasmepsin X Get druggable targets OG5_133546 All targets in OG5_133546
Plasmodium yoelii Eukaryotic aspartyl protease, putative Get druggable targets OG5_133546 All targets in OG5_133546
Plasmodium knowlesi aspartyl protease, putative Get druggable targets OG5_133546 All targets in OG5_133546
Plasmodium falciparum plasmepsin IX Get druggable targets OG5_133546 All targets in OG5_133546
Theileria parva hypothetical protein Get druggable targets OG5_133546 All targets in OG5_133546
Plasmodium berghei plasmepsin IX, putative Get druggable targets OG5_133546 All targets in OG5_133546
Toxoplasma gondii aspartyl protease ASP3 Get druggable targets OG5_133546 All targets in OG5_133546
Plasmodium knowlesi eukaryotic aspartyl protease, putative Get druggable targets OG5_133546 All targets in OG5_133546
Plasmodium vivax aspartyl protease, putative Get druggable targets OG5_133546 All targets in OG5_133546
Cryptosporidium parvum secreted pepsinogen like aspartyl protease having a signal peptide Get druggable targets OG5_133546 All targets in OG5_133546
Plasmodium berghei plasmepsin X Get druggable targets OG5_133546 All targets in OG5_133546
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum plasmepsin VI Pepsin A   385 aa 397 aa 31.5 %
Candida albicans secretory aspartyl proteinase SAP4p Pepsin A   385 aa 341 aa 27.9 %
Plasmodium berghei plasmepsin VII Pepsin A   385 aa 410 aa 28.5 %
Plasmodium berghei plasmepsin IV Pepsin A   385 aa 369 aa 31.7 %
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Pepsin A   385 aa 325 aa 42.8 %
Candida albicans secretory aspartyl proteinase SAP6p Pepsin A   385 aa 342 aa 27.5 %
Onchocerca volvulus Pepsin A   385 aa 382 aa 33.0 %
Candida albicans secretory aspartyl proteinase SAP8p Pepsin A   385 aa 358 aa 30.7 %
Echinococcus granulosus cathepsin d lysosomal aspartyl protease Pepsin A   385 aa 330 aa 44.5 %
Plasmodium yoelii aspartyl protease-like Pepsin A   385 aa 419 aa 21.0 %
Cryptosporidium hominis aspartyl protease precursor Pepsin A   385 aa 345 aa 31.9 %
Schistosoma japonicum Cathepsin D precursor, putative Pepsin A   385 aa 328 aa 37.8 %
Cryptosporidium parvum membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain Pepsin A   385 aa 346 aa 31.8 %
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) Pepsin A   385 aa 330 aa 43.9 %
Candida albicans secretory aspartyl proteinase SAP3p Pepsin A   385 aa 368 aa 27.4 %
Candida albicans secretory aspartyl proteinase SAP3p Pepsin A   385 aa 368 aa 27.4 %
Plasmodium knowlesi aspartyl protease, putative Pepsin A   385 aa 366 aa 27.9 %
Babesia bovis eukaryotic aspartyl protease family protein Pepsin A   385 aa 365 aa 32.3 %
Candida albicans secretory aspartyl proteinase SAP5p Pepsin A   385 aa 332 aa 28.9 %
Schistosoma mansoni cathepsin D (A01 family) Pepsin A   385 aa 373 aa 43.7 %
Candida albicans secretory aspartyl proteinase SAP10p, related to SAP9p Pepsin A   385 aa 378 aa 27.2 %
Candida albicans secretory aspartyl proteinase SAP7p Pepsin A   385 aa 361 aa 26.9 %
Neospora caninum Cathepsin D enzyme (EC 3.4.23.5), related Pepsin A   385 aa 353 aa 28.3 %
Plasmodium berghei plasmepsin VI Pepsin A   385 aa 351 aa 31.9 %
Onchocerca volvulus Pepsin A   385 aa 370 aa 21.4 %
Candida albicans potential aspartic protease, weakly similar to C terminus of S. cerevisiae YPS1 (YLR120C), GPI-anchored protease Pepsin A   385 aa 336 aa 22.6 %
Plasmodium knowlesi aspartyl protease, putative Pepsin A   385 aa 391 aa 31.5 %
Candida albicans secretory aspartyl proteinase SAP2p Pepsin A   385 aa 346 aa 30.9 %
Loa Loa (eye worm) aspartic protease BmAsp-2 Pepsin A   385 aa 385 aa 44.2 %
Plasmodium falciparum plasmepsin VII Pepsin A   385 aa 423 aa 27.7 %
Onchocerca volvulus Sphingomyelin phosphodiesterase 1 homolog Pepsin A   385 aa 386 aa 42.0 %
Plasmodium knowlesi plasmepsin V, putative Pepsin A   385 aa 418 aa 21.5 %
Plasmodium vivax plasmepsin V, putative Pepsin A   385 aa 410 aa 22.9 %
Candida albicans secretory aspartyl proteinase SAP1p Pepsin A   385 aa 331 aa 31.1 %
Babesia bovis aspartyl protease, putative Pepsin A   385 aa 327 aa 28.7 %
Candida albicans secretory aspartyl proteinase SAP1p Pepsin A   385 aa 331 aa 31.1 %
Plasmodium vivax aspartyl protease, putative Pepsin A   385 aa 365 aa 27.7 %
Loa Loa (eye worm) aspartic protease BmAsp-1 Pepsin A   385 aa 406 aa 29.3 %
Candida albicans secretory aspartyl proteinase SAP10p, related to SAP9p Pepsin A   385 aa 378 aa 27.2 %
Plasmodium vivax aspartyl proteinase, putative Pepsin A   385 aa 380 aa 32.1 %
Candida albicans secretory aspartyl proteinase SAP6p Pepsin A   385 aa 342 aa 27.5 %
Schistosoma mansoni memapsin-2 (A01 family) Pepsin A   385 aa 434 aa 21.4 %
Drosophila melanogaster CG6508 gene product from transcript CG6508-RA Pepsin A   385 aa 379 aa 41.4 %
Candida albicans secretory aspartyl proteinase SAP5p Pepsin A   385 aa 332 aa 28.9 %
Schistosoma mansoni cathepsin D (A01 family) Pepsin A   385 aa 375 aa 43.7 %
Plasmodium yoelii plasmepsin Pepsin A   385 aa 326 aa 32.8 %
Toxoplasma gondii aspartyl proteinase (eimepsin), putative Pepsin A   385 aa 382 aa 33.5 %
Plasmodium falciparum plasmepsin II Pepsin A   385 aa 323 aa 31.6 %
Candida albicans secretory aspartyl proteinase SAP4p Pepsin A   385 aa 341 aa 27.9 %
Plasmodium vivax plasmepsin IV, putative Pepsin A   385 aa 323 aa 30.0 %
Drosophila melanogaster CG31926 gene product from transcript CG31926-RB Pepsin A   385 aa 332 aa 40.4 %
Theileria parva cathepsin E, putative Pepsin A   385 aa 390 aa 33.3 %
Toxoplasma gondii aspartyl protease ASP1 Pepsin A   385 aa 410 aa 29.5 %
Plasmodium berghei plasmepsin V, putative Pepsin A   385 aa 412 aa 22.1 %
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) Pepsin A   385 aa 332 aa 42.5 %
Plasmodium falciparum plasmepsin III Pepsin A   385 aa 363 aa 26.2 %
Candida albicans secretory aspartyl proteinase SAP2p Pepsin A   385 aa 346 aa 30.9 %
Candida albicans secretory aspartyl proteinase SAP7p Pepsin A   385 aa 361 aa 26.9 %
Plasmodium falciparum plasmepsin I Pepsin A   385 aa 366 aa 30.3 %
Candida albicans potential aspartic protease, weakly similar to C terminus of S. cerevisiae YPS1 (YLR120C), GPI-anchored protease Pepsin A   385 aa 336 aa 22.6 %
Plasmodium knowlesi plasmepsin IV, putative Pepsin A   385 aa 323 aa 31.0 %
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Pepsin A   385 aa 325 aa 42.8 %
Toxoplasma gondii aspartyl protease Pepsin A   385 aa 409 aa 31.5 %
Brugia malayi aspartic protease BmAsp-1, identical Pepsin A   385 aa 385 aa 33.0 %
Schistosoma japonicum ko:K01379 cathepsin D [EC3.4.23.5], putative Pepsin A   385 aa 376 aa 43.1 %
Plasmodium falciparum plasmepsin IV Pepsin A   385 aa 323 aa 32.2 %
Neospora caninum Pepsinogen A1, related Pepsin A   385 aa 380 aa 33.9 %
Onchocerca volvulus Putative 6-pyruvoyl tetrahydrobiopterin synthase Pepsin A   385 aa 386 aa 31.9 %
Candida albicans secretory aspartyl proteinase SAP8p Pepsin A   385 aa 358 aa 30.7 %
Schistosoma japonicum Lysosomal aspartic protease precursor, putative Pepsin A   385 aa 324 aa 31.2 %
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) Pepsin A   385 aa 377 aa 30.0 %
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein Pepsin A   385 aa 363 aa 25.3 %
Dictyostelium discoideum hypothetical protein Pepsin A   385 aa 377 aa 29.2 %
Neospora caninum Renin, related Pepsin A   385 aa 355 aa 29.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tyrosine protein kinase fes (fps) (ptk group IV) 0.0204 0.2025 0.2025
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0502 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0204 0.2025 0.5
Schistosoma mansoni SH2A 0.0298 0.4522 0.4522
Echinococcus multilocularis tyrosine kinase 0.0502 1 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0502 1 1
Brugia malayi Protein kinase domain containing protein 0.0502 1 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0502 1 1
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0298 0.4522 0.3131
Brugia malayi SH2 domain containing protein 0.0502 1 1
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Brugia malayi SH2 domain containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Trypanosoma brucei Pseudokinase, putative 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine kinase 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Plasmodium falciparum protein kinase, putative 0.0204 0.2025 0.5
Brugia malayi SH2 domain containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Onchocerca volvulus 0.0502 1 1
Loa Loa (eye worm) SH2 domain-containing protein 0.0298 0.4522 0.3131
Plasmodium vivax tyrosine kinase-like protein, putative 0.0204 0.2025 0.5
Leishmania major protein kinase, putative 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0298 0.4522 0.3131
Schistosoma mansoni vav2 0.0298 0.4522 0.4522
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0502 1 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0298 0.4522 0.4522
Loa Loa (eye worm) TK/FER protein kinase 0.0502 1 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Schistosoma mansoni shc transforming protein 0.0298 0.4522 0.4522
Plasmodium falciparum protein kinase, putative 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0502 1 1
Schistosoma mansoni tensin 0.0298 0.4522 0.4522
Onchocerca volvulus 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine kinase 0.0502 1 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0298 0.4522 0.3131
Brugia malayi STAT protein, DNA binding domain containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni growth factor receptor-bound protein 0.0298 0.4522 0.4522
Schistosoma mansoni protein kinase 0.0204 0.2025 0.2025
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Brugia malayi hypothetical protein 0.0502 1 1
Leishmania major protein kinase, putative 0.0204 0.2025 0.5
Onchocerca volvulus 0.0502 1 1
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0298 0.4522 0.3131
Echinococcus multilocularis tensin 0.0298 0.4522 0.3131
Loa Loa (eye worm) STAT protein 0.0298 0.4522 0.3131
Schistosoma mansoni tensin-related 0.0298 0.4522 0.4522
Onchocerca volvulus 0.0298 0.4522 0.3131
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0502 1 1
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Echinococcus granulosus tyrosine protein kinase shark 0.0502 1 1
Giardia lamblia Kinase, NEK 0.0204 0.2025 0.5
Brugia malayi SH2 domain containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus multilocularis N chimaerin 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Schistosoma mansoni protein tyrosine kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis AGC family protein kinase 0.0204 0.2025 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Schistosoma mansoni adapter molecule crk 0.0298 0.4522 0.4522
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Brugia malayi Variant SH3 domain containing protein 0.0298 0.4522 0.3131
Loa Loa (eye worm) TK/FER protein kinase 0.0502 1 1
Echinococcus granulosus SH2 motif 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0298 0.4522 0.3131
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0502 1 1
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0502 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Schistosoma mansoni hypothetical protein 0.0204 0.2025 0.2025
Echinococcus granulosus tyrosine protein kinase Lyn 0.0502 1 1
Schistosoma mansoni tyrosine kinase 0.0502 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0502 1 1
Brugia malayi tRNA modification GTPase TrmE family protein 0.0298 0.4522 0.3131
Schistosoma mansoni protein kinase 0.0204 0.2025 0.2025
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0298 0.4522 0.3131
Schistosoma mansoni protein kinase 0.0204 0.2025 0.2025
Schistosoma mansoni suppressor of cytokine signaling 0.0298 0.4522 0.4522
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0204 0.2025 0.5
Schistosoma mansoni src-type protein tyrosine kinase-related 0.0204 0.2025 0.2025
Plasmodium falciparum tyrosine kinase-like protein 0.0204 0.2025 0.5
Echinococcus granulosus expressed conserved protein 0.0298 0.4522 0.3131
Schistosoma mansoni serine/threonine protein kinase 0.0204 0.2025 0.2025
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine protein kinase Blk 0.0502 1 1
Schistosoma mansoni hypothetical protein 0.0298 0.4522 0.4522
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0204 0.2025 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0298 0.4522 0.4522
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Echinococcus multilocularis signal transduction protein lnk realted 0.0298 0.4522 0.3131
Plasmodium vivax protein kinase, putative 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis conserved hypothetical protein 0.0204 0.2025 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine protein kinase fes (fps) (ptk group IV) 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0298 0.4522 0.3131
Echinococcus granulosus growth factor receptor bound protein 2 0.0298 0.4522 0.3131
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Brugia malayi Tyrosine-protein kinase abl-1 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Brugia malayi Protein kinase domain containing protein 0.0502 1 1
Schistosoma mansoni tensin 0.0298 0.4522 0.4522
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0502 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Brugia malayi Variant SH3 domain containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni growth factor receptor-bound protein 0.0298 0.4522 0.4522
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Schistosoma mansoni signal transduction protein lnk-related 0.0298 0.4522 0.4522
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Onchocerca volvulus 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Schistosoma mansoni tensin-related 0.0298 0.4522 0.4522
Schistosoma mansoni protein kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0502 1 1
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0298 0.4522 0.3131
Brugia malayi RhoGAP domain containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus c src tyrosine kinase 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis serine-threonine protein kinase, putative 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0298 0.4522 0.3131
Schistosoma mansoni serine/threonine RGC 0.0204 0.2025 0.2025
Loa Loa (eye worm) TK/FER protein kinase 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0298 0.4522 0.3131
Brugia malayi Protein kinase domain containing protein 0.0502 1 1
Schistosoma mansoni protein kinase 0.0204 0.2025 0.2025
Brugia malayi Sex muscle abnormal protein 5 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis protein tyrosine kinase, putative 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0298 0.4522 0.4522
Schistosoma mansoni protein kinase 0.0204 0.2025 0.2025
Schistosoma mansoni tyrosine kinase 0.0502 1 1
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus multilocularis c src tyrosine kinase 0.0502 1 1
Toxoplasma gondii protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Giardia lamblia Protein 21.1 0.0204 0.2025 0.5
Loa Loa (eye worm) SH2 domain-containing protein 0.0298 0.4522 0.3131
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0298 0.4522 0.3131
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0502 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0204 0.2025 0.2025
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0502 1 1
Trypanosoma brucei Flagellum attachment zone protein 20 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Onchocerca volvulus 0.0502 1 1
Echinococcus multilocularis SHC transforming protein 3 0.0298 0.4522 0.3131
Loa Loa (eye worm) TK/FER protein kinase 0.0502 1 1
Echinococcus multilocularis SH2 motif 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus NCK adaptor protein 0.0298 0.4522 0.3131
Echinococcus granulosus hypothetical protein 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine kinase 0.0502 1 1
Plasmodium vivax tyrosine kinase-like protein, putative 0.0204 0.2025 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0502 1 1
Entamoeba histolytica SH2 domain containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0298 0.4522 0.4522
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Brugia malayi Variant SH3 domain containing protein 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus signal transduction protein lnk realted 0.0298 0.4522 0.3131
Trichomonas vaginalis STE family protein kinase 0.0204 0.2025 0.5
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Echinococcus multilocularis tyrosine protein kinase Blk 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0502 1 1
Brugia malayi Protein kinase domain containing protein 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0298 0.4522 0.3131
Brugia malayi cytokine inducible SH2-containing protein 5 0.0298 0.4522 0.3131
Leishmania major hypothetical protein, conserved 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus multilocularis growth factor receptor bound protein 2 0.0298 0.4522 0.3131
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine protein kinase Srms 0.0502 1 1
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Schistosoma mansoni protein kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis conserved hypothetical protein 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0298 0.4522 0.3131
Onchocerca volvulus 0.0502 1 1
Toxoplasma gondii protein kinase domain-containing protein 0.0204 0.2025 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0298 0.4522 0.3131
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0502 1 1
Echinococcus granulosus SH2 motif 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Trypanosoma cruzi protein kinase, putative 0.0204 0.2025 0.5
Echinococcus multilocularis SH2 motif 0.0298 0.4522 0.3131
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0502 1 1
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0502 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus multilocularis NCK adaptor protein 0.0298 0.4522 0.3131
Echinococcus multilocularis tensin 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Echinococcus multilocularis tyrosine protein kinase Srms 0.0502 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0204 0.2025 0.5
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Schistosoma mansoni tensin 0.0298 0.4522 0.4522
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Trypanosoma brucei AGC/RSK family serine/threonine kinase, putative 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine protein kinase 0.0204 0.2025 0.2025
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0204 0.2025 0.5
Echinococcus multilocularis tyrosine protein kinase Abl 0.0502 1 1
Schistosoma mansoni protein kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Giardia lamblia Kinase, NEK 0.0204 0.2025 0.5
Trypanosoma cruzi protein kinase, putative 0.0204 0.2025 0.5
Echinococcus multilocularis SH2 domain containing protein 7 0.0298 0.4522 0.3131
Onchocerca volvulus 0.0502 1 1
Echinococcus granulosus SH2 domain containing adapter protein F 0.0298 0.4522 0.3131
Plasmodium falciparum tyrosine kinase-like protein 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine kinase 0.0502 1 1
Schistosoma mansoni hypothetical protein 0.0298 0.4522 0.4522
Toxoplasma gondii STE kinase 0.0204 0.2025 0.5
Schistosoma mansoni protein kinase 0.0204 0.2025 0.2025
Schistosoma mansoni GTPase activating protein 0.0298 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Trichomonas vaginalis conserved hypothetical protein 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine kinase 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Schistosoma mansoni suppressor of cytokine signaling 0.0298 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Trichomonas vaginalis serine/threonine-protein kinase wnk, putative 0.0204 0.2025 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Loa Loa (eye worm) SRC-1 0.0502 1 1
Echinococcus multilocularis 0.0298 0.4522 0.3131
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0298 0.4522 0.4522
Brugia malayi hypothetical protein 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0298 0.4522 0.3131
Loa Loa (eye worm) TK/FER protein kinase 0.0502 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0502 1 1
Echinococcus granulosus N chimaerin 0.0298 0.4522 0.3131
Echinococcus granulosus SH2 domain containing protein 7 0.0298 0.4522 0.3131
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0298 0.4522 0.3131
Echinococcus granulosus tyrosine kinase 0.0502 1 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0502 1 1
Brugia malayi SH2 domain containing protein 0.0298 0.4522 0.3131
Echinococcus granulosus SHC transforming protein 3 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Onchocerca volvulus 0.0298 0.4522 0.3131
Schistosoma mansoni serine/threonine protein kinase 0.0204 0.2025 0.2025
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0204 0.2025 0.5
Loa Loa (eye worm) SH2 domain-containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine-protein kinase fps85d 0.0204 0.2025 0.2025
Plasmodium falciparum protein kinase, putative 0.0204 0.2025 0.5
Trichomonas vaginalis protein kinase atn1, putative 0.0204 0.2025 0.5
Echinococcus multilocularis tyrosine protein kinase shark 0.0502 1 1
Brugia malayi Tensin 0.0298 0.4522 0.3131
Schistosoma mansoni protein kinase 0.0204 0.2025 0.2025
Brugia malayi SRC-1 0.0502 1 1
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Schistosoma mansoni tyrosine kinase 0.0204 0.2025 0.2025
Onchocerca volvulus 0.0298 0.4522 0.3131
Brugia malayi SH2 domain containing protein 0.0502 1 1
Echinococcus multilocularis SH2 motif 0.0298 0.4522 0.3131
Schistosoma mansoni tyrosine-protein kinase fps85d 0.0204 0.2025 0.2025
Loa Loa (eye worm) TK/FER protein kinase 0.0502 1 1
Brugia malayi Variant SH3 domain containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni ephrin receptor 0.0204 0.2025 0.2025
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0298 0.4522 0.3131
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Echinococcus granulosus tensin 0.0298 0.4522 0.3131
Brugia malayi protein-tyrosine kinase 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Giardia lamblia Kinase 0.0204 0.2025 0.5
Brugia malayi SH2 domain containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni ephrin receptor 0.0204 0.2025 0.2025
Schistosoma mansoni protein kinase 0.0204 0.2025 0.2025
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus suppressor of cytokine signaling 6 0.0298 0.4522 0.3131
Brugia malayi SH2 domain containing protein 0.0298 0.4522 0.3131
Trichomonas vaginalis br serine/threonine-protein kinase, putative 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0502 1 1
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Onchocerca volvulus 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0204 0.2025 0.2025
Echinococcus granulosus suppressor of cytokine signaling 7 0.0298 0.4522 0.3131
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0502 1 1
Entamoeba histolytica protein kinase, putative 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Trypanosoma brucei protein kinase, putative 0.0204 0.2025 0.5
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Onchocerca volvulus 0.0298 0.4522 0.3131
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Trichomonas vaginalis TKL family protein kinase 0.0204 0.2025 0.5
Brugia malayi SH2 domain containing protein 0.0298 0.4522 0.3131
Schistosoma mansoni nck2/grb4 0.0298 0.4522 0.4522
Loa Loa (eye worm) hypothetical protein 0.0298 0.4522 0.3131
Trichomonas vaginalis TK family protein kinase 0.0204 0.2025 0.5
Echinococcus granulosus tyrosine protein kinase ABL1 0.0502 1 1
Loa Loa (eye worm) TK protein kinase 0.0502 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 0.00033 M Inhibition of renin was measured using hog kidney reninand the radiolabeled synthetic substrate, H-Ile-His-Pro-Phe-His-Leu-[14C]Leu-Val-Tyr-Ser-OH ChEMBL. 6767029
IC50 (binding) > 0.00033 M Inhibition of renin was measured using hog kidney reninand the radiolabeled synthetic substrate, H-Ile-His-Pro-Phe-His-Leu-[14C]Leu-Val-Tyr-Ser-OH ChEMBL. 6767029
Ki (binding) = 0.00000035 M Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe ChEMBL. 6767029
Ki (binding) = 0.00000035 M Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe ChEMBL. 6767029

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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