Detailed information for compound 1726629

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.916 | Formula: C21H25ClN6O
  • H donors: 3 H acceptors: 3 LogP: 2.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCN(CC1)c1ncnc2c1cc[nH]2
  • InChi: 1S/C21H25ClN6O/c1-2-17(14-3-5-15(22)6-4-14)27-20(29)21(23)8-11-28(12-9-21)19-16-7-10-24-18(16)25-13-26-19/h3-7,10,13,17H,2,8-9,11-12,23H2,1H3,(H,27,29)(H,24,25,26)
  • InChiKey: ZFMRDRXPXZUHDB-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens v-akt murine thymoma viral oncogene homolog 1 Starlite/ChEMBL References
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References
Homo sapiens Rho-associated, coiled-coil containing protein kinase 2 Starlite/ChEMBL References
Homo sapiens v-akt murine thymoma viral oncogene homolog 3 Starlite/ChEMBL References
Homo sapiens v-akt murine thymoma viral oncogene homolog 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trypanosoma cruzi Protein kinase B Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis rho associated protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium vivax rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium berghei rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/AKT protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum Rho-associated protein kinase 1, putative Get druggable targets OG5_131020 All targets in OG5_131020
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine threonine protein kinase nrc Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium yoelii kinase Akt/PKB-related Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum IPR002219,Protein kinase C, phorbol ester/diacylglycerol binding,domain-containing Get druggable targets OG5_131020 All targets in OG5_131020
Schistosoma japonicum ko:K04456 RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase 2, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma brucei gambiense rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma congolense rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium knowlesi RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/RSK/P70 protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
Onchocerca volvulus Get druggable targets OG5_131020 All targets in OG5_131020
Toxoplasma gondii AGC kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma brucei rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus rho-associated protein kinase 1 Get druggable targets OG5_131020 All targets in OG5_131020
Echinococcus granulosus calcium:calmodulin dependent protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Neospora caninum Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Onchocerca volvulus Get druggable targets OG5_131020 All targets in OG5_131020
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K07390 monothiol glutaredoxin, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Giardia lamblia Kinase, AGC PKA Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_131020 All targets in OG5_131020
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Candida albicans likely protein kinase similar to S. cerevisiae YPK2 (YMR104C) Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Plasmodium falciparum RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi p70 ribosomal S6 kinase beta Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta-1, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K08792 serum/glucocorticoid regulated kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis rac serine:threonine kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major beta tubulin 0.0242 0.4281 1
Trypanosoma cruzi tubulin gamma chain 0.0131 0.2209 0.4008
Treponema pallidum cell division protein FtsZ 0.0057 0.0822 0.5
Echinococcus granulosus nervana 2 0.0083 0.1303 0.3043
Toxoplasma gondii alpha tubulin TUBA1 0.0183 0.3179 0.6814
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.3179 0.7056
Loa Loa (eye worm) AGC/AKT protein kinase 0.0131 0.2208 0.2208
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0084 0.1327 0.146
Echinococcus granulosus Tubulin beta 2C chain 0.0242 0.4281 1
Echinococcus granulosus tubulin alpha 0.0131 0.2209 0.5159
Brugia malayi Tubulin alpha chain 0.0183 0.3179 0.3179
Brugia malayi Tubulin alpha-2 chain 0.0183 0.3179 0.3179
Entamoeba histolytica PH domain containing protein kinase, putative 0.0089 0.142 0.2289
Loa Loa (eye worm) tubulin alpha 2 0.0126 0.2115 0.2115
Trypanosoma cruzi alpha tubulin, putative 0.0183 0.3179 0.6814
Echinococcus granulosus tubulin alpha chain 0.0183 0.3179 0.7426
Echinococcus multilocularis serine:threonine protein kinase N2 0.0043 0.0571 0.1333
Leishmania major beta tubulin 0.0242 0.4281 1
Echinococcus granulosus Tubulin beta 2C chain 0.0242 0.4281 1
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0571 0.1333
Trichomonas vaginalis tubulin gamma chain, putative 0.0131 0.2209 0.4464
Brugia malayi Tubulin alpha chain 0.0057 0.0822 0.0822
Leishmania major beta tubulin 0.0242 0.4281 1
Echinococcus multilocularis tubulin alpha chain 0.0183 0.3179 0.7426
Trypanosoma cruzi epsilon tubulin, putative 0.0131 0.2209 0.4008
Echinococcus granulosus NDR protein kinase 0.0043 0.0571 0.1333
Echinococcus multilocularis tubulin alpha 3 chain 0.0183 0.3179 0.7426
Leishmania major beta tubulin 0.0242 0.4281 1
Leishmania major beta tubulin 0.0242 0.4281 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0183 0.3179 0.3179
Echinococcus granulosus Tubulin alpha 1 chain 0.0183 0.3179 0.7426
Plasmodium vivax tubulin epsilon chain, putative 0.0131 0.2209 0.4008
Trichomonas vaginalis tubulin epsilon chain, putative 0.0242 0.4281 1
Trichomonas vaginalis AGC family protein kinase 0.0131 0.2208 0.4462
Echinococcus multilocularis nervana 2 0.0083 0.1303 0.3043
Echinococcus multilocularis Tubulin alpha 1 chain 0.0183 0.3179 0.7426
Loa Loa (eye worm) BEN-1 protein 0.0242 0.4281 0.4281
Echinococcus granulosus tubulin alpha 3 chain 0.0183 0.3179 0.7426
Echinococcus granulosus protein kinase c iota type 0.0043 0.0571 0.1333
Loa Loa (eye worm) hypothetical protein 0.0043 0.0571 0.0571
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0083 0.1303 0.3043
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0043 0.0571 0.1333
Loa Loa (eye worm) hypothetical protein 0.0039 0.0482 0.0482
Echinococcus granulosus serine:threonine protein kinase N2 0.0043 0.0571 0.1333
Loa Loa (eye worm) hypothetical protein 0.0183 0.3179 0.3179
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0126 0.2115 0.2115
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0043 0.0571 0.0571
Leishmania major beta tubulin 0.0242 0.4281 1
Entamoeba histolytica tubulin family protein 0.0242 0.4281 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0043 0.0571 0.1333
Echinococcus granulosus tubulin beta 4A class IVa 0.0242 0.4281 1
Entamoeba histolytica protein kinase, putative 0.0131 0.2208 0.4412
Giardia lamblia Alpha-tubulin 0.0183 0.3179 0.6814
Trypanosoma brucei beta tubulin 0.0131 0.2209 0.4008
Entamoeba histolytica protein kinase, putative 0.0131 0.2208 0.4412
Plasmodium vivax tubulin gamma chain, putative 0.0131 0.2209 0.4008
Trypanosoma brucei rac serine-threonine kinase, putative 0.0131 0.2208 0.4006
Loa Loa (eye worm) tubulin beta chain 0.0057 0.0822 0.0822
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0083 0.1303 0.3043
Trypanosoma brucei alpha tubulin 0.0183 0.3179 0.6814
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0571 0.1333
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0592 0.0592
Trichomonas vaginalis AGC family protein kinase 0.0131 0.2208 0.4462
Echinococcus multilocularis tubulin alpha chain 0.0183 0.3179 0.7426
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0057 0.0822 0.5
Trichomonas vaginalis tubulin gamma chain, putative 0.0057 0.0822 0.0761
Echinococcus multilocularis beta tubulin 0.0242 0.4281 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0242 0.4281 0.4281
Toxoplasma gondii alpha-tubulin I, putative 0.0183 0.3179 0.6814
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.3179 0.7056
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.3179 0.7056
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0571 0.1333
Echinococcus multilocularis serine threonine protein kinase 0.0043 0.0571 0.1333
Schistosoma mansoni tubulin subunit alpha 0.0183 0.3179 0.7426
Loa Loa (eye worm) alpha-tubulin 0.0183 0.3179 0.3179
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0042 0.0546 0.0024
Loa Loa (eye worm) tubulin gamma chain 0.0131 0.2209 0.2209
Trichomonas vaginalis tubulin, putative 0.0057 0.0822 0.0761
Echinococcus granulosus tubulin subunit beta 0.0242 0.4281 1
Echinococcus multilocularis tubulin alpha chain 0.0183 0.3179 0.7426
Schistosoma mansoni tubulin subunit delta 0.0057 0.0822 0.1921
Echinococcus multilocularis tubulin subunit beta 0.0242 0.4281 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0242 0.4281 0.4281
Loa Loa (eye worm) tubulin alpha-3 chain 0.0109 0.1793 0.1793
Entamoeba histolytica protein kinase, putative 0.0126 0.2115 0.4162
Giardia lamblia Gamma tubulin 0.0131 0.2209 0.4008
Mycobacterium tuberculosis Cell division protein FtsZ 0.0057 0.0822 0.5
Leishmania major beta tubulin 0.0242 0.4281 1
Echinococcus multilocularis tubulin beta 1 chain 0.0242 0.4281 1
Brugia malayi Cell division protein ftsZ 0.0057 0.0822 0.0822
Echinococcus multilocularis tubulin gamma 1 chain 0.0131 0.2209 0.5159
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.3179 0.7056
Echinococcus granulosus beta tubulin 0.0242 0.4281 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0074 0.1145 0.1623
Trichomonas vaginalis tubulin gamma chain, putative 0.0131 0.2209 0.4464
Leishmania major beta tubulin 0.0242 0.4281 1
Loa Loa (eye worm) tubulin alpha chain 0.0183 0.3179 0.3179
Echinococcus multilocularis tubulin alpha chain 0.0183 0.3179 0.7426
Echinococcus multilocularis hypothetical protein 0.0183 0.3179 0.7426
Loa Loa (eye worm) tubulin alpha 2 0.0126 0.2115 0.2115
Echinococcus granulosus beta tubulin 0.0242 0.4281 1
Trichomonas vaginalis AGC family protein kinase 0.0131 0.2208 0.4462
Trichomonas vaginalis AGC family protein kinase 0.0131 0.2208 0.4462
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0669 0.1562
Echinococcus granulosus tubulin beta 1 chain 0.0242 0.4281 1
Plasmodium falciparum tubulin gamma chain 0.0131 0.2209 0.4008
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0043 0.0571 0.0571
Loa Loa (eye worm) alpha-tubulin 0.0183 0.3179 0.3179
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Trichomonas vaginalis AGC family protein kinase 0.0131 0.2208 0.4462
Loa Loa (eye worm) tubulin alpha chain 0.0183 0.3179 0.3179
Trichomonas vaginalis tubulin alpha chain, putative 0.0074 0.1145 0.1623
Trichomonas vaginalis AGC family protein kinase 0.0043 0.0571 0.0089
Echinococcus granulosus tubulin alpha chain 0.0183 0.3179 0.7426
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0089 0.142 0.1728
Echinococcus multilocularis tubulin alpha 0.0131 0.2209 0.5159
Echinococcus multilocularis Tubulin beta 2C chain 0.0242 0.4281 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0089 0.142 0.2289
Loa Loa (eye worm) tubulin beta-1 chain 0.0242 0.4281 0.4281
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0592 0.1383
Echinococcus granulosus Tubulin beta 2C chain 0.0242 0.4281 1
Entamoeba histolytica tubulin alpha chain, putative 0.0183 0.3179 0.703
Trypanosoma brucei beta tubulin 0.0242 0.4281 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0043 0.0571 0.0571
Leishmania major beta tubulin 0.0242 0.4281 1
Schistosoma mansoni tubulin subunit epsilon 0.0131 0.2209 0.5159
Echinococcus multilocularis tubulin epsilon chain 0.0131 0.2209 0.5159
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0571 0.1333
Trypanosoma cruzi Protein kinase B 0.0089 0.142 0.1728
Echinococcus granulosus Tubulin alpha 1 chain 0.0183 0.3179 0.7426
Schistosoma mansoni alpha tubulin 0.0183 0.3179 0.7426
Echinococcus multilocularis serine:threonine protein kinase 38 0.0043 0.0571 0.1333
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0084 0.1327 0.146
Trichomonas vaginalis tubulin beta chain, putative 0.0074 0.1145 0.1623
Giardia lamblia Beta tubulin 0.0242 0.4281 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0043 0.0571 0.0571
Brugia malayi beta-tubulin, identical 0.0242 0.4281 0.4281
Echinococcus granulosus Tubulin alpha 1 chain 0.0183 0.3179 0.7426
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Echinococcus multilocularis Tubulin alpha 1 chain 0.0183 0.3179 0.7426
Echinococcus granulosus tubulin delta chain 0.0057 0.0822 0.1921
Brugia malayi protein kinase C II. 0.0043 0.0571 0.0571
Echinococcus granulosus tubulin alpha 3 chain 0.0183 0.3179 0.7426
Trypanosoma brucei alpha tubulin, putative 0.0074 0.1145 0.0932
Echinococcus granulosus tubulin alpha 1C chain 0.0183 0.3179 0.7426
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0043 0.0571 0.1333
Trichomonas vaginalis tubulin epsilon chain, putative 0.0183 0.3179 0.7056
Echinococcus granulosus Protein kinase C brain isozyme 0.0043 0.0571 0.1333
Echinococcus granulosus protein kinase c epsilon type 0.0043 0.0571 0.1333
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0669 0.1562
Brugia malayi Tubulin gamma chain 0.0131 0.2209 0.2209
Echinococcus granulosus protein kinase C gamma type 0.0043 0.0571 0.1333
Echinococcus granulosus tubulin gamma 1 chain 0.0131 0.2209 0.5159
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0057 0.0822 0.0761
Leishmania major beta tubulin 0.0242 0.4281 1
Leishmania major beta tubulin 0.0242 0.4281 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0242 0.4281 1
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.3179 0.7056
Brugia malayi Hr1 repeat family protein 0.0043 0.0571 0.0571
Loa Loa (eye worm) tubulin alpha 2 0.0052 0.0729 0.0729
Trichomonas vaginalis tubulin alpha chain, putative 0.0074 0.1145 0.1623
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0183 0.3179 0.7056
Trichomonas vaginalis tubulin, putative 0.0074 0.1145 0.1623
Onchocerca volvulus 0.0177 0.3067 1
Trichomonas vaginalis tubulin, putative 0.0242 0.4281 1
Echinococcus multilocularis rho associated protein kinase 0.0177 0.3067 0.7163
Trichomonas vaginalis tubulin beta chain, putative 0.0242 0.4281 1
Plasmodium falciparum alpha tubulin 1 0.0183 0.3179 0.6814
Trichomonas vaginalis tubulin epsilon chain, putative 0.0242 0.4281 1
Loa Loa (eye worm) BEN-1 protein 0.0242 0.4281 0.4281
Leishmania major beta tubulin 0.0242 0.4281 1
Trypanosoma cruzi beta tubulin, putative 0.0242 0.4281 1
Toxoplasma gondii beta tubulin 0.0242 0.4281 1
Schistosoma mansoni tubulin subunit beta 0.0242 0.4281 1
Giardia lamblia Alpha-tubulin 0.0183 0.3179 0.6814
Echinococcus granulosus Glutaredoxin protein 5 0.0083 0.1303 0.3043
Leishmania major beta tubulin 0.0242 0.4281 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0126 0.2115 0.2115
Plasmodium vivax tubulin alpha chain, putative 0.0183 0.3179 0.6814
Schistosoma mansoni tubulin subunit beta 0.0242 0.4281 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0242 0.4281 1
Echinococcus granulosus Tubulin beta 2C chain 0.0242 0.4281 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0084 0.1327 0.31
Trypanosoma brucei alpha tubulin 0.0183 0.3179 0.6814
Giardia lamblia Beta tubulin 0.0242 0.4281 1
Echinococcus granulosus tubulin alpha chain 0.0183 0.3179 0.7426
Trichomonas vaginalis tubulin alpha chain, putative 0.0131 0.2209 0.4464
Schistosoma mansoni tubulin subunit beta 0.0057 0.0822 0.1921
Leishmania major gamma-tubulin 0.0131 0.2209 0.4008
Echinococcus multilocularis tubulin alpha 3 chain 0.0183 0.3179 0.7426
Schistosoma mansoni serine/threonine protein kinase 0.0177 0.3067 0.7163
Trypanosoma brucei epsilon tubulin 0.0131 0.2209 0.4008
Brugia malayi Protein kinase domain containing protein 0.0131 0.2208 0.2208
Echinococcus granulosus tubulin alpha chain 0.0183 0.3179 0.7426
Brugia malayi Protein kinase domain containing protein 0.0043 0.0571 0.0571
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0109 0.1793 0.3353
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0822 0.0761
Schistosoma mansoni tubulin subunit alpha 0.0057 0.0822 0.1921
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0084 0.1327 0.31
Schistosoma mansoni tubulin subunit alpha 0.0183 0.3179 0.7426
Brugia malayi Protein kinase domain containing protein 0.0043 0.0571 0.0571
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0571 0.1333
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Echinococcus multilocularis rac serine:threonine kinase 0.0089 0.142 0.3317
Brugia malayi Tubulin alpha-2 chain 0.0183 0.3179 0.3179
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0043 0.0571 0.1333
Giardia lamblia Beta tubulin 0.0242 0.4281 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0043 0.0571 0.1333
Plasmodium vivax tubulin beta chain, putative 0.0242 0.4281 1
Leishmania major beta tubulin 0.0242 0.4281 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0242 0.4281 1
Plasmodium vivax tubulin alpha chain, putative 0.0183 0.3179 0.6814
Leishmania major epsilon tubulin, putative 0.0131 0.2209 0.4008
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0663 0.0336
Echinococcus granulosus serine threonine protein kinase nrc 0.0084 0.1327 0.31
Schistosoma mansoni serine/threonine kinase 0.0043 0.0571 0.1333
Echinococcus granulosus tubulin alpha 1C chain 0.0183 0.3179 0.7426
Loa Loa (eye worm) hypothetical protein 0.0126 0.2115 0.2115
Echinococcus multilocularis tubulin subunit TubB 0.0183 0.3179 0.7426
Trypanosoma brucei beta tubulin 0.0242 0.4281 1
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Loa Loa (eye worm) AGC/PKN protein kinase 0.0043 0.0571 0.0571
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Brugia malayi alpha-tubulin 0.0183 0.3179 0.3179
Onchocerca volvulus 0.0175 0.3043 0.9873
Trichomonas vaginalis AGC family protein kinase 0.0043 0.0571 0.0089
Toxoplasma gondii beta-tubulin, putative 0.0242 0.4281 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0183 0.3179 0.7056
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0043 0.0571 0.1333
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0822 0.0761
Brugia malayi tubulin alpha chain - mouse 0.0183 0.3179 0.3179
Trichomonas vaginalis AGC family protein kinase 0.0043 0.0571 0.0089
Schistosoma mansoni tubulin subunit beta 0.0242 0.4281 1
Entamoeba histolytica tubulin gamma chain 0.0131 0.2209 0.4415
Echinococcus granulosus tubulin epsilon chain 0.0131 0.2209 0.5159
Echinococcus granulosus tubulin alpha chain 0.0183 0.3179 0.7426
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Entamoeba histolytica tubulin family protein 0.0242 0.4281 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0126 0.2115 0.4215
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0131 0.2209 0.4008
Echinococcus multilocularis tubulin alpha chain 0.0183 0.3179 0.7426
Leishmania major beta tubulin 0.0242 0.4281 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0183 0.3179 0.7426
Entamoeba histolytica protein kinase 2, putative 0.0084 0.1327 0.2039
Loa Loa (eye worm) AGC/NDR protein kinase 0.0043 0.0571 0.0571
Echinococcus multilocularis protein kinase c iota type 0.0043 0.0571 0.1333
Toxoplasma gondii AGC kinase 0.0126 0.2115 0.3737
Leishmania major beta tubulin 0.0242 0.4281 1
Plasmodium falciparum tubulin beta chain 0.0242 0.4281 1
Trichomonas vaginalis AGC family protein kinase 0.0131 0.2208 0.4462
Loa Loa (eye worm) beta-tubulin 0.0242 0.4281 0.4281
Trypanosoma brucei alpha tubulin 0.0183 0.3179 0.6814
Schistosoma mansoni tubulin subunit beta 0.0242 0.4281 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0183 0.3179 0.7426
Trypanosoma brucei beta tubulin 0.0242 0.4281 1
Trypanosoma brucei tubulin gamma chain 0.0131 0.2209 0.4008
Brugia malayi tubulin alpha-2 chain 0.0183 0.3179 0.3179
Schistosoma mansoni serine/threonine-protein kinase 0.0089 0.142 0.3317
Echinococcus multilocularis tubulin alpha 1C chain 0.0183 0.3179 0.7426
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0043 0.0571 0.1333
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0126 0.2115 0.2115
Trypanosoma brucei epsilon tubulin 0.0131 0.2209 0.4008
Schistosoma mansoni atypical protein kinase C 0.0043 0.0571 0.1333
Echinococcus multilocularis Glutaredoxin protein 5 0.0083 0.1303 0.3043
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0592 0.1383
Schistosoma mansoni tubulin subunit gamma 0.0131 0.2209 0.5159
Trichomonas vaginalis tubulin epsilon chain, putative 0.0057 0.0822 0.0761
Echinococcus granulosus Tubulin beta 2C chain 0.0242 0.4281 1
Mycobacterium ulcerans cell division protein FtsZ 0.0057 0.0822 0.5
Trichomonas vaginalis tubulin alpha chain, putative 0.0242 0.4281 1
Plasmodium falciparum alpha tubulin 2 0.0183 0.3179 0.6814
Trypanosoma brucei alpha tubulin 0.0183 0.3179 0.6814
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0592 0.0592
Leishmania major beta tubulin 0.0242 0.4281 1
Trypanosoma cruzi epsilon tubulin, putative 0.0131 0.2209 0.4008
Leishmania major beta tubulin 0.0242 0.4281 1
Echinococcus multilocularis tubulin delta chain 0.0057 0.0822 0.1921
Giardia lamblia Kinase, AGC PKA 0.0084 0.1327 0.146
Loa Loa (eye worm) tubulin beta chain 0.0242 0.4281 0.4281
Toxoplasma gondii beta-1 tubulin, putative 0.0242 0.4281 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0084 0.1327 0.146
Trypanosoma brucei epsilon tubulin 0.0131 0.2209 0.4008
Trichomonas vaginalis tubulin gamma chain, putative 0.0242 0.4281 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1793 0.1793
Echinococcus granulosus serine/threonine protein kinase 0.0089 0.142 0.3317
Trichomonas vaginalis tubulin, putative 0.0074 0.1145 0.1623
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Leishmania major alpha tubulin 0.0183 0.3179 0.6814
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0571 0.1333
Brugia malayi Tubulin beta chain 0.0074 0.1145 0.1145
Schistosoma mansoni tubulin subunit alpha 0.0183 0.3179 0.7426
Schistosoma mansoni alpha tubulin 0.0183 0.3179 0.7426
Brugia malayi Tubulin beta-1 chain 0.0242 0.4281 0.4281
Trichomonas vaginalis AGC family protein kinase 0.0131 0.2208 0.4462
Echinococcus granulosus tubulin subunit TubB 0.0183 0.3179 0.7426
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0571 0.1333
Trichomonas vaginalis tubulin alpha chain, putative 0.0074 0.1145 0.1623
Trypanosoma brucei beta tubulin 0.0242 0.4281 1
Mycobacterium leprae cell division protein FtsZ 0.0057 0.0822 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.3179 0.7056
Echinococcus multilocularis nervana 2 0.0083 0.1303 0.3043
Echinococcus granulosus nervana 2 0.0083 0.1303 0.3043
Schistosoma mansoni tubulin subunit beta 0.0242 0.4281 1
Echinococcus multilocularis protein kinase c epsilon type 0.0043 0.0571 0.1333
Echinococcus granulosus alpha tubulin 0.0183 0.3179 0.7426
Schistosoma mansoni tubulin subunit beta 0.0242 0.4281 1
Schistosoma mansoni alpha tubulin 0.0183 0.3179 0.7426
Schistosoma mansoni serine/threonine-protein kinase 0.0089 0.142 0.3317
Brugia malayi Tubulin beta chain 0.0057 0.0822 0.0822
Plasmodium falciparum tubulin epsilon chain, putative 0.0131 0.2209 0.4008
Echinococcus multilocularis Tubulin alpha 1 chain 0.0183 0.3179 0.7426
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0043 0.0571 0.1333
Echinococcus granulosus peroxisome assembly protein 26 0.0183 0.3179 0.7426
Echinococcus multilocularis Tubulin beta 2C chain 0.0242 0.4281 1
Entamoeba histolytica tubulin alpha-1 chain 0.0183 0.3179 0.703
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0242 0.4281 1
Echinococcus multilocularis beta tubulin 0.0242 0.4281 1
Echinococcus granulosus rho-associated protein kinase 1 0.0177 0.3067 0.7163

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7 nM Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift assay ChEMBL. 23394218
IC50 (binding) = 15 nM Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift assay ChEMBL. 23394218
IC50 (binding) = 23 nM Inhibition of recombinant Akt2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift assay ChEMBL. 23394218
IC50 (binding) = 126 nM Inhibition of recombinant ROCK2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift assay ChEMBL. 23394218
IC50 (binding) = 6495 nM Inhibition of human ERG expressed in CHO cells by ionworks assay ChEMBL. 23394218

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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