Detailed information for compound 593426

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 588.562 | Formula: C25H23F3N8O4S
  • H donors: 3 H acceptors: 7 LogP: -0.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.CCn1c(nc2c1c(cnc2c1cc2c(s1)cccc2)C(=O)N1CCC(C1)N)c1nonc1N
  • InChi: 1S/C23H22N8O2S.C2HF3O2/c1-2-31-20-14(23(32)30-8-7-13(24)11-30)10-26-17(16-9-12-5-3-4-6-15(12)34-16)18(20)27-22(31)19-21(25)29-33-28-19;3-2(4,5)1(6)7/h3-6,9-10,13H,2,7-8,11,24H2,1H3,(H2,25,29);(H,6,7)
  • InChiKey: VIROWQRBPUXUIF-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Leishmania mexicana glucose transporter, lmgt2 Starlite/ChEMBL No references
Plasmodium falciparum (isolate 3D7) Calcium-dependent protein kinase 4 Starlite/ChEMBL No references
Homo sapiens solute carrier family 2 (facilitated glucose transporter), member 1 Starlite/ChEMBL No references
Plasmodium falciparum hexose transporter Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Candida albicans almost identical to C terminus of CaP19.2425 Get druggable targets OG5_127135 All targets in OG5_127135
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium knowlesi calcium-dependent protein kinase 3, putative Get druggable targets OG5_126600 All targets in OG5_126600
Trichomonas vaginalis sugar transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II delta chain, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium vivax calcium-dependent protein kinase 3, putative Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Schistosoma japonicum Solute carrier family 2, facilitated glucose transporter member 4, putative Get druggable targets OG5_127135 All targets in OG5_127135
Leishmania braziliensis glucose transporter/membrane transporter D2, putative Get druggable targets OG5_129633 All targets in OG5_129633
Plasmodium vivax calcium-dependent protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Theileria parva calcium-dependent protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 1 Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Leishmania infantum glucose transporter, lmgt3 Get druggable targets OG5_129633 All targets in OG5_129633
Plasmodium berghei calcium-dependent protein kinase 4 Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium parvum calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum Solute carrier family 2, facilitated glucose transporter member 3, putative Get druggable targets OG5_127135 All targets in OG5_127135
Cryptosporidium parvum calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni glucose transport protein Get druggable targets OG5_127135 All targets in OG5_127135
Trypanosoma cruzi hexose transporter Get druggable targets OG5_129633 All targets in OG5_129633
Echinococcus multilocularis solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Trypanosoma brucei glucose transporter 2A Get druggable targets OG5_129633 All targets in OG5_129633
Leishmania infantum glucose transporter, lmgt2 Get druggable targets OG5_129633 All targets in OG5_129633
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129633 All targets in OG5_129633
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium knowlesi calcium-dependent protein kinase 4, putative Get druggable targets OG5_126600 All targets in OG5_126600
Candida albicans Serine-threonine protein kinase similar to S. cerevisiae CMK2 (YOL016C) calcium/calmodulin-dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Theileria parva calmodulin-domain protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum Glucose transporter 1A, related Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus General substrate transporter Get druggable targets OG5_127135 All targets in OG5_127135
Leishmania mexicana glucose transporter/membrane transporter D2, putative Get druggable targets OG5_129633 All targets in OG5_129633
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II beta chain, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus calcium dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Candida albicans almost identical to C terminus of CaP19.2425 Get druggable targets OG5_127135 All targets in OG5_127135
Trypanosoma brucei gambiense glucose transporter,glucose transporter 2A, putative Get druggable targets OG5_129633 All targets in OG5_129633
Trypanosoma brucei gambiense hexose transporter,glucose transporter 1B, putative Get druggable targets OG5_129633 All targets in OG5_129633
Brugia malayi Sugar transporter family protein Get druggable targets OG5_127135 All targets in OG5_127135
Neospora caninum hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium berghei calcium-dependent protein kinase 3 Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma congolense glucose transporter 2A, putative Get druggable targets OG5_129633 All targets in OG5_129633
Neospora caninum Calcium-dependent protein kinase 2, related Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Toxoplasma gondii facilitative glucose transporter GT1 Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus multilocularis General substrate transporter Get druggable targets OG5_127135 All targets in OG5_127135
Neospora caninum Calmodulin-like domain protein kinase isoenzyme gamma, related Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania major glucose transporter, lmgt1 Get druggable targets OG5_129633 All targets in OG5_129633
Trichomonas vaginalis glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Plasmodium yoelii putative sugar transporter Get druggable targets OG5_127135 All targets in OG5_127135
Trypanosoma cruzi hexose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Echinococcus multilocularis solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Candida albicans C terminus is almost identical to CaP19.2865 Get druggable targets OG5_127135 All targets in OG5_127135
Trypanosoma brucei glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Trypanosoma cruzi hexose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Loa Loa (eye worm) CAMK/CAMK2 protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania braziliensis lmgt2, putative Get druggable targets OG5_129633 All targets in OG5_129633
Leishmania donovani glucose transporter 1 Get druggable targets OG5_129633 All targets in OG5_129633
Plasmodium knowlesi calcium-dependent protein kinase 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Toxoplasma gondii calcium-dependent protein kinase CDPK2B Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum Solute carrier family 2, facilitated glucose transporter member 1, putative Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Loa Loa (eye worm) sugar transporter Get druggable targets OG5_127135 All targets in OG5_127135
Trypanosoma brucei gambiense glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Plasmodium falciparum hexose transporter Get druggable targets OG5_127135 All targets in OG5_127135
Leishmania donovani glucose transporter/membrane transporter D2, putative Get druggable targets OG5_129633 All targets in OG5_129633
Plasmodium falciparum calcium-dependent protein kinase 3 Get druggable targets OG5_126600 All targets in OG5_126600
Toxoplasma gondii calcium-dependent protein kinase CDPK3 Get druggable targets OG5_126600 All targets in OG5_126600
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania infantum protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium yoelii calcium-dependent protein kinase-3 Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania mexicana glucose transporter, lmgt3 Get druggable targets OG5_129633 All targets in OG5_129633
Schistosoma japonicum IPR005828,General substrate transporter,domain-containing Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei THT1 - hexose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127135 All targets in OG5_127135
Leishmania infantum glucose transporter/membrane transporter D2, putative Get druggable targets OG5_129633 All targets in OG5_129633
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis CDPK2 Get druggable targets OG5_126600 All targets in OG5_126600
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium yoelii calmodulin-domain protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium vivax hexose transporter Get druggable targets OG5_127135 All targets in OG5_127135
Brugia malayi Cam kinase protein 1 Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni glucose transport protein Get druggable targets OG5_127135 All targets in OG5_127135
Leishmania major glucose transporter, lmgt2 Get druggable targets OG5_129633 All targets in OG5_129633
Trypanosoma brucei glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Trichomonas vaginalis sugar transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Trypanosoma cruzi hexose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Leishmania mexicana glucose transporter, lmgt2 Get druggable targets OG5_129633 All targets in OG5_129633
Plasmodium knowlesi calcium-dependent protein kinase 5, putative Get druggable targets OG5_126600 All targets in OG5_126600
Trichomonas vaginalis glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Candida albicans Serine-threonine protein kinase similar to S. cerevisiae CMK2 (YOL016C) calcium/calmodulin-dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis calmodulin-domain protein kinase 1 Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium knowlesi hexose transporter, putative Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II alpha chain, putative Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania major glucose transporter/membrane transporter D2, putative Get druggable targets OG5_129633 All targets in OG5_129633
Trypanosoma brucei THT1 - hexose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Trichomonas vaginalis sugar transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Leishmania major glucose transporter, lmgt3 Get druggable targets OG5_129633 All targets in OG5_129633
Trypanosoma brucei glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Echinococcus granulosus calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Cryptosporidium hominis calcium-dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum ko:K08794 calcium/calmodulin-dependent protein kinase I, putative Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania braziliensis glucose transporter, lmgt2 Get druggable targets OG5_129633 All targets in OG5_129633
Trypanosoma brucei gambiense glucose transporter Get druggable targets OG5_129633 All targets in OG5_129633
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Plasmodium falciparum calcium-dependent protein kinase 5 Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei glucose transporter 1E Get druggable targets OG5_129633 All targets in OG5_129633
Leishmania mexicana glucose transporter, lmgt1 Get druggable targets OG5_129633 All targets in OG5_129633
Babesia bovis calcium-dependent protein kinase 4 Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum ko:K07299 MFS transporter, SP family, solute carrier family 2 (facilitated, putative Get druggable targets OG5_127135 All targets in OG5_127135
Plasmodium vivax calcium-dependent protein kinase 4, putative Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma cruzi hexose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Plasmodium yoelii Plasmodium falciparum CDPK2 protein Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei THT1 - hexose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania major protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium berghei calcium-dependent protein kinase 5 Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma congolense glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Cryptosporidium parvum calmodulin-domain protein kinase 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei gambiense hexose transporter,glucose transporter 1B Get druggable targets OG5_129633 All targets in OG5_129633
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129633 All targets in OG5_129633
Schistosoma mansoni glucose transport protein Get druggable targets OG5_127135 All targets in OG5_127135
Plasmodium falciparum calcium-dependent protein kinase 2 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium berghei hexose transporter Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum ko:K07191 MFS transporter, SP family, solute carrier family 2 (facilitated, putative Get druggable targets OG5_127135 All targets in OG5_127135
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania donovani protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Toxoplasma gondii calcium-dependent protein kinase CDPK2A Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis solute carrier family 2, facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Plasmodium vivax calcium-dependent protein kinase 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum ko:K04515 calcium/calmodulin-dependent protein kinase (CaM kinase) II, putative Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium parvum calcium/calmodulin dependent protein kinase with a kinas domain and 4 calmodulin-like EF hands Get druggable targets OG5_126600 All targets in OG5_126600
Candida albicans C terminus is almost identical to CaP19.2865 Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma mansoni protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania donovani glucose transporter 3, putative Get druggable targets OG5_129633 All targets in OG5_129633
Schistosoma mansoni protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 4 Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania infantum glucose transporter, lmgt1 Get druggable targets OG5_129633 All targets in OG5_129633
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Plasmodium berghei calcium-dependent protein kinase 1 Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma congolense glucose transporter, putative Get druggable targets OG5_129633 All targets in OG5_129633
Plasmodium yoelii calcium-dept. protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum CAM kinase, CDPK family, putative Calcium-dependent protein kinase 4   528 aa 463 aa 32.0 %
Cryptosporidium parvum hypothetical protein Calcium-dependent protein kinase 4   528 aa 463 aa 34.1 %
Babesia bovis mitogen-activated protein kinase, putative Calcium-dependent protein kinase 4   528 aa 427 aa 23.4 %
Cryptosporidium hominis calcium-dependent protein kinase Calcium-dependent protein kinase 4   528 aa 502 aa 29.7 %
Trypanosoma cruzi CAMK/CAMKL family protein kinase, putative Calcium-dependent protein kinase 4   528 aa 489 aa 28.8 %
Trypanosoma brucei gambiense protein kinase, putative Calcium-dependent protein kinase 4   528 aa 524 aa 26.7 %
Cryptosporidium hominis hypothetical protein Calcium-dependent protein kinase 4   528 aa 463 aa 34.1 %
Trypanosoma brucei glucose transporter, putative solute carrier family 2 (facilitated glucose transporter), member 1 492 aa 395 aa 23.5 %
Toxoplasma gondii calcium-dependent protein kinase CDPK9 Calcium-dependent protein kinase 4   528 aa 500 aa 34.2 %
Cryptosporidium parvum calcium/calmodulin-dependent protein kinase with a kinase domain and 4 calmodulin like EF hands Calcium-dependent protein kinase 4   528 aa 468 aa 35.9 %
Leishmania donovani protein kinase, putative Calcium-dependent protein kinase 4   528 aa 486 aa 27.4 %
Toxoplasma gondii calcium-dependent protein kinase CDPK2 Calcium-dependent protein kinase 4   528 aa 480 aa 36.9 %
Neospora caninum Calcium-dependent protein kinase, related Calcium-dependent protein kinase 4   528 aa 516 aa 35.5 %
Trypanosoma brucei CAMK/CAMKL family protein kinase, putative Calcium-dependent protein kinase 4   528 aa 524 aa 26.7 %
Entamoeba histolytica protein kinase, putative Calcium-dependent protein kinase 4   528 aa 429 aa 26.3 %
Toxoplasma gondii calcium-dependent protein kinase CDPK6 Calcium-dependent protein kinase 4   528 aa 453 aa 34.0 %
Leishmania major protein kinase, putative Calcium-dependent protein kinase 4   528 aa 488 aa 27.5 %
Trypanosoma congolense protein kinase, putative Calcium-dependent protein kinase 4   528 aa 499 aa 29.3 %
Trypanosoma brucei glucose transporter, putative hexose transporter 504 aa 426 aa 22.3 %
Trypanosoma congolense protein kinase, putative Calcium-dependent protein kinase 4   528 aa 509 aa 25.5 %
Trypanosoma brucei protein kinase, putative Calcium-dependent protein kinase 4   528 aa 524 aa 26.7 %
Cryptosporidium parvum calcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands Calcium-dependent protein kinase 4   528 aa 501 aa 28.9 %
Trypanosoma cruzi CAMK/CAMKL family protein kinase, putative Calcium-dependent protein kinase 4   528 aa 527 aa 25.6 %
Theileria parva protein kinase, putative Calcium-dependent protein kinase 4   528 aa 507 aa 27.4 %
Trypanosoma cruzi CAMK/CAMKL family protein kinase, putative Calcium-dependent protein kinase 4   528 aa 522 aa 25.5 %
Cryptosporidium hominis calmodulin-domain protein kinase 2 Calcium-dependent protein kinase 4   528 aa 468 aa 36.1 %
Leishmania infantum protein kinase, putative Calcium-dependent protein kinase 4   528 aa 486 aa 27.4 %
Leishmania braziliensis protein kinase, putative Calcium-dependent protein kinase 4   528 aa 490 aa 27.3 %
Trypanosoma congolense protein kinase, putative Calcium-dependent protein kinase 4   528 aa 517 aa 27.9 %
Giardia lamblia Kinase, NEK Calcium-dependent protein kinase 4   528 aa 509 aa 19.8 %
Trypanosoma cruzi CAMK/CAMKL family protein kinase, putative Calcium-dependent protein kinase 4   528 aa 489 aa 29.0 %
Leishmania mexicana protein kinase, putative Calcium-dependent protein kinase 4   528 aa 486 aa 27.2 %
Babesia bovis calcium-dependent protein kinase, putative Calcium-dependent protein kinase 4   528 aa 450 aa 30.2 %
Theileria parva calmodulin-domain protein kinase, putative Calcium-dependent protein kinase 4   528 aa 454 aa 31.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0057 0.0024
Schistosoma mansoni hypothetical protein 0.0126 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0065 0.4311 0.4292
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0033 0.0033
Trypanosoma cruzi hexose transporter, putative 0.0039 0.1944 0.4436
Trichomonas vaginalis sugar transporter, putative 0.0039 0.1944 0.1917
Trichomonas vaginalis aldo/keto reductase, putative 0.0065 0.4311 0.4292
Leishmania major glucose transporter, lmgt1 0.0039 0.1944 0.4467
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0019 0.0057 0.0056
Onchocerca volvulus 0.0065 0.4311 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.4311 0.4311
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1944 0.1917
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0065 0.4311 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0065 0.4311 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0019 0.0057 0.0056
Trypanosoma cruzi aldo/keto reductase, putative 0.0065 0.4311 1
Echinococcus granulosus aldehyde reductase 0.0046 0.2576 0.2576
Echinococcus multilocularis General substrate transporter 0.0108 0.8358 0.8358
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0057 0.0024
Echinococcus granulosus aldo keto reductase 0.0065 0.4311 0.4311
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0033 0.0033
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 1 1
Trypanosoma cruzi hexose transporter, putative 0.0039 0.1944 0.4436
Trichomonas vaginalis glucose transporter, putative 0.0039 0.1944 0.1917
Schistosoma mansoni pol-related 0.0065 0.4311 0.4292
Trichomonas vaginalis conserved hypothetical protein 0.0126 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.4311 0.4311
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Trypanosoma brucei glucose transporter, putative 0.0039 0.1944 0.4467
Echinococcus multilocularis aldo keto reductase 0.0065 0.4311 0.4311
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Leishmania major glucose transporter, lmgt3 0.0039 0.1944 0.4467
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Trichomonas vaginalis aldo/keto reductase, putative 0.0065 0.4311 0.4292
Plasmodium vivax aldehyde reductase, putative 0.0019 0.0057 0.0023
Brugia malayi NADH-dependent xylose reductase 0.0019 0.0057 0.0024
Plasmodium vivax hexose transporter 0.0126 1 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0033 0.0033
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.4311 0.4311
Onchocerca volvulus 0.0065 0.4311 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 1 1
Trypanosoma brucei glucose transporter, putative 0.0039 0.1944 0.4467
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Entamoeba histolytica aldose reductase, putative 0.0065 0.4311 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.4311 0.4311
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.4311 0.4311
Giardia lamblia Aldose reductase 0.0065 0.4311 0.5
Loa Loa (eye worm) oxidoreductase 0.0065 0.4311 0.4292
Onchocerca volvulus 0.0065 0.4311 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0019 0.0057 0.0024
Toxoplasma gondii aldo-keto reductase 0.0019 0.0057 0.0023
Schistosoma mansoni glucose transport protein 0.0126 1 1
Giardia lamblia Aldose reductase 0.0065 0.4311 0.5
Trypanosoma brucei THT1 - hexose transporter, putative 0.0039 0.1944 0.4467
Echinococcus granulosus hypothetical protein 0.0065 0.4311 0.4311
Trichomonas vaginalis aldo/keto reductase, putative 0.0065 0.4311 0.4292
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0065 0.4311 0.4292
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.4311 0.4311
Plasmodium falciparum aldehyde reductase, putative 0.0019 0.0057 0.0023
Loa Loa (eye worm) oxidoreductase 0.0065 0.4311 0.4292
Trypanosoma cruzi aldo-keto reductase 0.0065 0.4311 1
Echinococcus multilocularis aldehyde reductase 0.0046 0.2576 0.2576
Mycobacterium ulcerans oxidoreductase 0.0065 0.4311 1
Trichomonas vaginalis glucose transporter, putative 0.0039 0.1944 0.1917
Schistosoma mansoni aldo-keto reductase 0.0065 0.4311 0.4292
Trypanosoma cruzi hexose transporter, putative 0.0021 0.0302 0.0576
Trichomonas vaginalis sugar transporter, putative 0.0039 0.1944 0.1917
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0065 0.4311 0.4292
Trypanosoma brucei aldo-keto reductase, putative 0.0065 0.4311 1
Echinococcus multilocularis aldo keto reductase 0.0065 0.4311 0.4311
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0065 0.4311 0.4292
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.4311 0.4311
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.4311 0.4311
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.4311 0.4311
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0019 0.0057 0.0057
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0019 0.0057 0.0023
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.4311 0.4311
Trypanosoma brucei glucose transporter, putative 0.0039 0.1944 0.4467
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 1 1
Schistosoma mansoni glucose transport protein 0.0126 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.4311 0.4311
Trichomonas vaginalis sugar transporter, putative 0.0039 0.1944 0.1917
Onchocerca volvulus 0.0065 0.4311 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0126 1 1
Trypanosoma brucei glucose transporter 1E 0.0039 0.1944 0.4467
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.4311 0.4311
Trypanosoma brucei glucose transporter, putative 0.0039 0.1944 0.4467
Trypanosoma brucei aldo/keto reductase, putative 0.0019 0.0057 0.0056
Trypanosoma brucei glucose transporter 2A 0.0039 0.1944 0.4467
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0065 0.4311 0.4292
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0033 0.0033
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Schistosoma mansoni aldo-keto reductase 0.0065 0.4311 0.4292
Plasmodium falciparum hexose transporter 0.0126 1 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0126 1 1
Trypanosoma brucei glucose transporter, putative 0.0039 0.1944 0.4467
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Trypanosoma brucei glucose transporter, putative 0.0039 0.1944 0.4467
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0057 0.0024
Onchocerca volvulus 0.0065 0.4311 1
Schistosoma mansoni potassium channel beta 0.0019 0.0057 0.0024
Onchocerca volvulus 0.0065 0.4311 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.4311 0.4311
Entamoeba histolytica aldose reductase, putative 0.0065 0.4311 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0065 0.4311 0.4292
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0019 0.0057 0.0023
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 1 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0039 0.1944 0.4467
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0019 0.0057 0.0023
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0065 0.4311 0.4292
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.4311 0.4311
Leishmania major aldo-keto reductase-like protein 0.0065 0.4311 1
Trypanosoma brucei glucose transporter, putative 0.0039 0.1944 0.4467
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.4311 0.4311
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.4311 0.4311
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0033 0.0033
Plasmodium falciparum aldo-keto reductase, putative 0.0019 0.0057 0.0023
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.4311 0.4292
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0057 0.0024
Mycobacterium leprae Conserved hypothetical protein 0.0046 0.2576 0.5922
Entamoeba histolytica alcohol dehydrogenase, putative 0.0019 0.0057 0.0056
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0019 0.0057 0.0024
Echinococcus granulosus General substrate transporter 0.0108 0.8358 0.8358
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0033 0.0033
Echinococcus multilocularis aldo keto reductase 0.0065 0.4311 0.4311
Toxoplasma gondii aldose reductase, putative 0.0065 0.4311 0.4291
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0065 0.4311 1
Trypanosoma cruzi hexose transporter, putative 0.0039 0.1944 0.4436
Leishmania major glucose transporter/membrane transporter D2, putative 0.0039 0.1944 0.4467
Leishmania major prostaglandin f synthase, putative 0.0065 0.4311 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0018 0.0033 0.0033
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1944 0.1917
Echinococcus multilocularis aldo keto reductase 0.0065 0.4311 0.4311
Loa Loa (eye worm) oxidoreductase 0.0065 0.4311 0.4292
Loa Loa (eye worm) oxidoreductase 0.0065 0.4311 0.4292
Trypanosoma brucei THT1 - hexose transporter, putative 0.0039 0.1944 0.4467
Trypanosoma brucei prostaglandin f synthase 0.0065 0.4311 1
Entamoeba histolytica aldose reductase, putative 0.0065 0.4311 1
Schistosoma mansoni glucose transport protein 0.0126 1 1
Loa Loa (eye worm) oxidoreductase 0.0065 0.4311 0.4292
Loa Loa (eye worm) sugar transporter 0.0126 1 1
Leishmania major glucose transporter, lmgt2 0.0039 0.1944 0.4467
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 1 1
Trypanosoma cruzi hexose transporter 0.0039 0.1944 0.4436
Trypanosoma brucei glucose transporter, putative 0.0039 0.1944 0.4467
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.4311 0.4311
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.4311 0.4311
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0065 0.4311 0.4292
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0065 0.4311 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0019 0.0057 0.0057
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.4311 0.4311
Echinococcus granulosus aldo keto reductase 0.0065 0.4311 0.4311
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0019 0.0057 0.0024
Echinococcus granulosus aldo keto reductase 0.0065 0.4311 0.4311
Echinococcus multilocularis voltage gated potassium channel subunit 0.0019 0.0057 0.0057
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.4311 0.4311

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4325 nM ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
IC50 (functional) = 4479 nM ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
IC50 (functional) = 4482 nM ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
IC50 (functional) 0.089 uM PubChem BioAssay. Biochemical screen of P. falciparum CDPK4. (Class of assay: confirmatory) ChEMBL. No reference
Inhibition (functional) = 5 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 10.95 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 66 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 82.24 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 98 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 98.27 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 99 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 10.16 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 5 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 66 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 98 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 99 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
XC50 (functional) = 6.06 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.87079 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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