TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 496.562 | Formula: C31H24N6O
H donors: 2 H acceptors: 4 LogP: 5 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1)NCc1ccc(cc1)n1c(nc2c1ncc(c2)c1ccccc1)c1cccnc1N
InChi: 1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
InChiKey: GBDIQLKYOXQPND-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Giardia lamblia	Kinase, AGC PKA	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
Loa Loa (eye worm)	AGC/RSK/P70 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
Schistosoma mansoni	serine/threonine-protein kinase	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
Echinococcus granulosus	nervana 2	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
Trichomonas vaginalis	AGC family protein kinase	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
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium falciparum	RAC-beta serine/threonine protein 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
Trypanosoma cruzi	rac serine-threonine kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	ko:K04456 RAC serine/threonine-protein kinase, 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
Echinococcus multilocularis	nervana 2	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
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
Entamoeba histolytica	PH domain containing protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	ko:K08792 serum/glucocorticoid regulated kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	Get druggable targets OG5_126635	All targets in OG5_126635
Candida albicans	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
Entamoeba histolytica	protein kinase, putative	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
Brugia malayi	p70 ribosomal S6 kinase beta	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
Trichomonas vaginalis	AGC family protein kinase	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
Echinococcus granulosus	serine threonine protein kinase nrc	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 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
Trichomonas vaginalis	AGC family protein kinase	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
Trypanosoma cruzi	Protein kinase B	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
Echinococcus granulosus	serine/threonine protein kinase	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 granulosus	calcium:calmodulin dependent protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Candida albicans	likely protein kinase similar to S. cerevisiae YPK2 (YMR104C)	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 multilocularis	Glutaredoxin protein 5	Get druggable targets OG5_126635	All targets in OG5_126635
Brugia malayi	Protein kinase domain containing protein	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
Echinococcus multilocularis	nervana 2	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
Trichomonas vaginalis	AGC family protein kinase	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
Plasmodium yoelii	kinase Akt/PKB-related	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	rac serine:threonine 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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	alpha tubulin 1	0.0036	0.8574	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0036	0.8574	1
Trypanosoma brucei	alpha tubulin	0.0036	0.8574	0.81
Loa Loa (eye worm)	alpha-tubulin	0.0036	0.8574	0.856
Leishmania major	alpha tubulin	0.0036	0.8574	1
Entamoeba histolytica	tubulin gamma chain	0.0019	0.2495	0.2419
Echinococcus granulosus	alpha tubulin	0.0036	0.8574	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0019	0.2495	0.2825
Echinococcus multilocularis	nervana 2	0.0025	0.4408	0.5083
Echinococcus granulosus	tubulin alpha chain	0.0036	0.8574	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0036	0.8574	0.9205
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0025	0.4565	0.4565
Entamoeba histolytica	tubulin alpha-1 chain	0.0036	0.8574	0.856
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0025	0.4509	0.3313
Entamoeba histolytica	tubulin family protein	0.0019	0.2495	0.2419
Trypanosoma brucei	alpha tubulin	0.0036	0.8574	0.81
Echinococcus multilocularis	tubulin alpha 3 chain	0.0036	0.8574	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0036	0.8574	1
Loa Loa (eye worm)	tubulin beta chain	0.0019	0.2495	0.2419
Plasmodium vivax	tubulin alpha chain, putative	0.0036	0.8574	1
Schistosoma mansoni	serine/threonine-protein kinase	0.0028	0.541	0.6266
Echinococcus multilocularis	tubulin alpha 3 chain	0.0036	0.8574	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0019	0.2495	0.2825
Brugia malayi	beta-tubulin, identical	0.0019	0.2495	0.2419
Schistosoma mansoni	alpha tubulin	0.0036	0.8574	1
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0101	0.0101
Loa Loa (eye worm)	tubulin alpha 2	0.0028	0.5498	0.5452
Schistosoma mansoni	tubulin subunit beta	0.0019	0.2495	0.2825
Trichomonas vaginalis	tubulin beta chain, putative	0.0036	0.8574	0.8574
Leishmania major	alpha tubulin	0.0036	0.8574	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0019	0.2495	0.2825
Trichomonas vaginalis	tubulin, putative	0.0019	0.2495	0.2495
Leishmania major	alpha tubulin	0.0036	0.8574	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0028	0.541	0.5363
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0019	0.2495	0.2825
Trypanosoma cruzi	alpha tubulin, putative	0.0036	0.8574	1
Toxoplasma gondii	AGC kinase	0.0038	0.9099	1
Echinococcus granulosus	tubulin subunit TubB	0.0036	0.8574	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0036	0.8574	1
Trypanosoma brucei	alpha tubulin	0.0036	0.8574	0.81
Echinococcus multilocularis	tubulin alpha chain	0.0036	0.8574	1
Echinococcus granulosus	tubulin alpha	0.0019	0.2495	0.2825
Echinococcus multilocularis	tubulin alpha 1C chain	0.0036	0.8574	1
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0025	0.4408	0.5083
Plasmodium vivax	tubulin alpha chain, putative	0.0036	0.8574	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0019	0.2495	0.2495
Trichomonas vaginalis	tubulin beta chain, putative	0.0036	0.8574	0.8574
Loa Loa (eye worm)	tubulin alpha 2	0.0028	0.5498	0.5452
Echinococcus multilocularis	tubulin alpha chain	0.0036	0.8574	1
Brugia malayi	Tubulin beta-1 chain	0.0019	0.2495	0.2419
Echinococcus granulosus	Tubulin alpha 1 chain	0.0036	0.8574	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0019	0.2495	0.2825
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0036	0.8574	1
Echinococcus granulosus	beta tubulin	0.0019	0.2495	0.2825
Leishmania major	alpha tubulin	0.0036	0.8574	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0025	0.4408	0.5083
Loa Loa (eye worm)	tubulin beta-2A chain	0.0019	0.2495	0.2419
Echinococcus multilocularis	tubulin alpha chain	0.0036	0.8574	1
Echinococcus granulosus	serine/threonine protein kinase	0.0028	0.541	0.6266
Schistosoma mansoni	tubulin subunit epsilon	0.0019	0.2495	0.2825
Schistosoma mansoni	tubulin subunit beta	0.0019	0.2495	0.2825
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0025	0.4565	0.451
Echinococcus granulosus	Tubulin beta 2C chain	0.0019	0.2495	0.2825
Schistosoma mansoni	tubulin subunit beta	0.0019	0.2495	0.2825
Schistosoma mansoni	tubulin subunit beta	0.0019	0.2495	0.2825
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0101	0.0101
Leishmania major	alpha tubulin	0.0036	0.8574	1
Entamoeba histolytica	tubulin family protein	0.0019	0.2495	0.2419
Loa Loa (eye worm)	tubulin gamma chain	0.0019	0.2495	0.2419
Trichomonas vaginalis	tubulin gamma chain, putative	0.0019	0.2495	0.2495
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0036	0.8574	0.8574
Echinococcus multilocularis	rac serine:threonine kinase	0.0028	0.541	0.6266
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0036	0.8574	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0028	0.541	0.5363
Echinococcus granulosus	tubulin alpha 1C chain	0.0036	0.8574	1
Entamoeba histolytica	protein kinase, putative	0.0038	0.9099	0.909
Loa Loa (eye worm)	alpha-tubulin	0.0036	0.8574	0.856
Echinococcus granulosus	tubulin alpha chain	0.0036	0.8574	1
Leishmania major	alpha tubulin	0.0036	0.8574	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0028	0.5498	0.5452
Leishmania major	alpha tubulin	0.0036	0.8574	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0036	0.8574	0.856
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0028	0.541	0.4795
Echinococcus multilocularis	tubulin alpha chain	0.0036	0.8574	1
Schistosoma mansoni	tubulin subunit alpha	0.0036	0.8574	1
Brugia malayi	Tubulin alpha-2 chain	0.0036	0.8574	0.856
Loa Loa (eye worm)	tubulin beta-4 chain	0.0019	0.2495	0.2419
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0038	0.9099	0.909
Echinococcus granulosus	Tubulin beta 2C chain	0.0019	0.2495	0.2825
Brugia malayi	alpha-tubulin	0.0036	0.8574	0.856
Loa Loa (eye worm)	BEN-1 protein	0.0019	0.2495	0.2419
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0019	0.2495	0.2495
Loa Loa (eye worm)	tubulin beta-1 chain	0.0019	0.2495	0.2419
Echinococcus multilocularis	Glutaredoxin protein 5	0.0025	0.4408	0.5083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.5498	0.5452
Brugia malayi	tubulin alpha-2 chain	0.0036	0.8574	0.856
Echinococcus multilocularis	tubulin alpha chain	0.0036	0.8574	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0019	0.2495	0.2825
Loa Loa (eye worm)	beta-tubulin	0.0019	0.2495	0.2419
Loa Loa (eye worm)	tubulin alpha 2	0.0017	0.1489	0.1402
Echinococcus granulosus	Tubulin beta 2C chain	0.0019	0.2495	0.2825
Echinococcus granulosus	tubulin alpha chain	0.0036	0.8574	1
Echinococcus granulosus	tubulin subunit beta	0.0019	0.2495	0.2825
Echinococcus multilocularis	beta tubulin	0.0019	0.2495	0.2825
Echinococcus multilocularis	Tubulin beta 2C chain	0.0019	0.2495	0.2825
Brugia malayi	Tubulin gamma chain	0.0019	0.2495	0.2419
Entamoeba histolytica	tubulin alpha chain, putative	0.0036	0.8574	0.856
Leishmania major	alpha tubulin	0.0036	0.8574	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0036	0.8574	0.9205
Brugia malayi	Tubulin alpha-2 chain	0.0036	0.8574	0.856
Leishmania major	alpha tubulin	0.0036	0.8574	1
Schistosoma mansoni	tubulin subunit beta	0.0019	0.2495	0.2825
Echinococcus multilocularis	peroxisome assembly protein 26	0.0036	0.8574	1
Echinococcus granulosus	Glutaredoxin protein 5	0.0025	0.4408	0.5083
Schistosoma mansoni	tubulin subunit alpha	0.0036	0.8574	1
Echinococcus multilocularis	tubulin subunit TubB	0.0036	0.8574	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0036	0.8574	0.8574
Echinococcus granulosus	Tubulin alpha 1 chain	0.0036	0.8574	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.0019	0.2495	0.2825
Trichomonas vaginalis	tubulin beta chain, putative	0.0019	0.2495	0.2495
Echinococcus granulosus	peroxisome assembly protein 26	0.0036	0.8574	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0036	0.8574	0.8574
Giardia lamblia	Alpha-tubulin	0.0036	0.8574	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0019	0.2495	0.2495
Echinococcus multilocularis	tubulin epsilon chain	0.0019	0.2495	0.2825
Loa Loa (eye worm)	BEN-1 protein	0.0019	0.2495	0.2419
Trypanosoma cruzi	Protein kinase B	0.0028	0.541	0.4795
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0028	0.5498	0.5498
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0025	0.4509	0.5203
Brugia malayi	tubulin alpha chain - mouse	0.0036	0.8574	0.856
Plasmodium falciparum	alpha tubulin 2	0.0036	0.8574	1
Trypanosoma brucei	alpha tubulin	0.0036	0.8574	0.81
Echinococcus granulosus	Tubulin alpha 1 chain	0.0036	0.8574	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0036	0.8574	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0019	0.2495	0.2825
Echinococcus multilocularis	tubulin subunit beta	0.0019	0.2495	0.2825
Echinococcus granulosus	tubulin alpha chain	0.0036	0.8574	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0036	0.8574	0.8574
Loa Loa (eye worm)	tubulin alpha chain	0.0036	0.8574	0.856
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0019	0.2495	0.2495
Echinococcus multilocularis	nervana 2	0.0025	0.4408	0.5083
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0036	0.8574	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.8574	0.856
Trichomonas vaginalis	tubulin alpha chain, putative	0.0019	0.2495	0.2495
Echinococcus multilocularis	hypothetical protein	0.0036	0.8574	1
Loa Loa (eye worm)	tubulin alpha chain	0.0036	0.8574	0.856
Schistosoma mansoni	alpha tubulin	0.0036	0.8574	1
Echinococcus granulosus	beta tubulin	0.0019	0.2495	0.2825
Brugia malayi	p70 ribosomal S6 kinase beta	0.0038	0.9099	0.909
Entamoeba histolytica	protein kinase 2, putative	0.0025	0.4509	0.4453
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0025	0.4509	0.3313
Echinococcus multilocularis	Tubulin beta 2C chain	0.0019	0.2495	0.2825
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0025	0.4509	0.3313
Echinococcus multilocularis	beta tubulin	0.0019	0.2495	0.2825
Loa Loa (eye worm)	hypothetical protein	0.0025	0.4565	0.451
Leishmania major	alpha tubulin	0.0036	0.8574	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0036	0.8574	0.8574
Echinococcus granulosus	Tubulin beta 2C chain	0.0019	0.2495	0.2825
Giardia lamblia	Alpha-tubulin	0.0036	0.8574	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0019	0.2495	0.2495
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0101	0.0101
Echinococcus granulosus	tubulin alpha chain	0.0036	0.8574	1
Giardia lamblia	Kinase, AGC PKA	0.0025	0.4509	0.3313
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0025	0.4509	0.5203
Leishmania major	alpha tubulin	0.0036	0.8574	1
Schistosoma mansoni	alpha tubulin	0.0036	0.8574	1
Leishmania major	alpha tubulin	0.0036	0.8574	1
Echinococcus multilocularis	tubulin gamma 1 chain	0.0019	0.2495	0.2825
Echinococcus multilocularis	tubulin alpha	0.0019	0.2495	0.2825
Schistosoma mansoni	tubulin subunit gamma	0.0019	0.2495	0.2825
Echinococcus granulosus	tubulin beta 1 chain	0.0019	0.2495	0.2825
Echinococcus granulosus	nervana 2	0.0025	0.4408	0.5083
Schistosoma mansoni	tubulin subunit beta	0.0019	0.2495	0.2825
Echinococcus granulosus	nervana 2	0.0025	0.4408	0.5083
Trichomonas vaginalis	tubulin beta chain, putative	0.0036	0.8574	0.8574
Echinococcus granulosus	tubulin epsilon chain	0.0019	0.2495	0.2825
Echinococcus granulosus	serine threonine protein kinase nrc	0.0025	0.4509	0.5203
Trichomonas vaginalis	tubulin beta chain, putative	0.0036	0.8574	0.8574
Schistosoma mansoni	serine/threonine-protein kinase	0.0028	0.541	0.6266
Trichomonas vaginalis	AGC family protein kinase	0.0015	0.1002	0.1002
Schistosoma mansoni	tubulin subunit alpha	0.0036	0.8574	1
Brugia malayi	Tubulin alpha chain	0.0036	0.8574	0.856

Activities

Activity type	Activity value	Assay description	Source	Reference
Delta Tm (binding)	= 1.2 degrees C	Binding affinity to Akt2 (1 to 481) expressed in Sf9 cells assessed as change in melting temperature at 15 uM	ChEMBL.	22533986
Delta Tm (binding)	= 5.61 degrees C	Binding affinity to Akt1 (1 to 480) expressed in Sf9 cells assessed as change in melting temperature at 30 uM	ChEMBL.	22533986
IC50 (binding)	= 0.033 uM	Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay	ChEMBL.	22533986
IC50 (binding)	= 0.16 uM	Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis	ChEMBL.	22533986
IC50 (binding)	= 0.33 uM	Inhibition of Akt1 in human A2780 cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis	ChEMBL.	22533986
IC50 (binding)	= 0.68 uM	Inhibition of Akt 1 in human A2780 cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis	ChEMBL.	22533986
IC50 (binding)	= 0.98 uM	Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis	ChEMBL.	22533986
IC50 (binding)	= 1.1 uM	Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis	ChEMBL.	22533986
IC50 (binding)	= 1.8 uM	Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis	ChEMBL.	22533986
IC50 (binding)	= 51 uM	Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay	ChEMBL.	22533986
IC50 (binding)	> 100 uM	Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay	ChEMBL.	22533986
IC50 (functional)	> 100 uM	Antiproliferative activity against human AN3CA cells after 72 hrs by MTS assay	ChEMBL.	22533986

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

ChEMBL: CHEMBL2177830

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1722654