TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 539.63 | Formula: C33H29N7O
H donors: 1 H acceptors: 4 LogP: 3.66 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: O=C1N=CC=C2C1C=C(c1ccccc1)C(=N2)c1ccc(cc1)CN1CCC(CC1)c1n[nH]c(n1)c1ccccn1
InChi: 1S/C33H29N7O/c41-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)13-17-35-33)24-11-9-22(10-12-24)21-40-18-14-25(15-19-40)31-37-32(39-38-31)29-8-4-5-16-34-29/h1-13,16-17,20,25,27H,14-15,18-19,21H2,(H,37,38,39)
InChiKey: CCWLNNLUNXJIPP-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
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References
Homo sapiens	v-akt murine thymoma viral oncogene homolog 2	Starlite/ChEMBL	References
Homo sapiens	v-akt murine thymoma viral oncogene homolog 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit beta-1, putative	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
Echinococcus multilocularis	Glutaredoxin protein 5	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
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
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
Plasmodium berghei	rac-beta serine/threonine protein 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
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	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
Toxoplasma gondii	AGC 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
Entamoeba histolytica	PH domain containing protein 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
Brugia malayi	p70 ribosomal S6 kinase beta	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
Echinococcus multilocularis	rac serine:threonine kinase	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 mansoni	serine/threonine-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
Trichomonas vaginalis	AGC family protein kinase	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
Plasmodium vivax	rac-beta serine/threonine 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
Loa Loa (eye worm)	hypothetical protein	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
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
Trichomonas vaginalis	AGC family protein kinase	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
Echinococcus granulosus	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
Trypanosoma congolense	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
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Entamoeba histolytica	protein kinase 2, 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
Plasmodium yoelii	kinase Akt/PKB-related	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
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	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
Schistosoma mansoni	voltage-gated potassium channel	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
Plasmodium knowlesi	RAC-beta serine/threonine protein kinase	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
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	nervana 2	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
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Candida albicans	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
Trypanosoma cruzi	rac serine-threonine kinase, putative	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
Schistosoma japonicum	RAC serine/threonine-protein 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
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	AGC/RSK/P70 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	serine/threonine protein kinase	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

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
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0009	0.0235	0.0246
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0083	0.6224	0.9399
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0088	0.6622	1
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0009	0.0235	0.0246
Trichomonas vaginalis	AGC family protein kinase	0.0043	0.298	0.298
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0043	0.298	0.4438
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0009	0.0235	0.0246
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0013	0.0564	0.0747
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0042	0.2906	0.2906
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.3431	0.5127
Toxoplasma gondii	protein kinase G AGC kinase family member PKG	0.0007	0.0074	0.0077
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.3103	0.4625
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0043	0.298	0.4438
Trypanosoma brucei	rac serine-threonine kinase, putative	0.013	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0048	0.3378	0.3378
Schistosoma mansoni	serine/threonine protein kinase	0.0043	0.298	0.4438
Echinococcus granulosus	nervana 2	0.0083	0.615	0.9279
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.0235	0.0246
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0083	0.6224	1
Leishmania major	protein kinase, putative	0.0007	0.0074	1
Echinococcus granulosus	protein kinase c iota type	0.0043	0.298	0.4438
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0013	0.0564	0.0493
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0043	0.298	0.4438
Echinococcus multilocularis	protein kinase c iota type	0.0043	0.298	0.4438
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0009	0.0235	0.0235
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0043	0.298	0.2928
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0009	0.0235	0.0246
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0043	0.298	0.4438
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.0235	0.0246
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0043	0.298	0.4438
Toxoplasma gondii	AGC kinase	0.0126	0.9602	1
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0043	0.298	0.4438
Schistosoma mansoni	serine/threonine protein kinase	0.0043	0.298	0.4438
Schistosoma mansoni	serine/threonine protein kinase	0.0043	0.298	0.4438
Plasmodium falciparum	cGMP-dependent protein kinase	0.0007	0.0074	0.012
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0009	0.0235	0.0246
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0009	0.0235	0.0162
Echinococcus multilocularis	nervana 2	0.0083	0.615	0.9279
Loa Loa (eye worm)	AGC/AKT protein kinase	0.013	1	1
Entamoeba histolytica	protein kinase, putative	0.0126	0.9602	0.9602
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0083	0.6224	0.9393
Echinococcus granulosus	protein kinase C gamma type	0.0043	0.298	0.4438
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0083	0.615	0.9279
Echinococcus granulosus	hyperpolarization activated cyclic	0.0009	0.0235	0.0246
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0009	0.0235	0.0246
Schistosoma mansoni	serine/threonine protein kinase	0.0043	0.298	0.4438
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.0235	0.0246
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.0564	0.0747
Schistosoma mansoni	serine/threonine kinase	0.0043	0.298	0.4438
Trichomonas vaginalis	AGC family protein kinase	0.013	1	1
Echinococcus granulosus	nervana 2	0.0083	0.615	0.9279
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.2868	0.2868
Echinococcus granulosus	NDR protein kinase	0.0043	0.298	0.4438
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0009	0.0235	0.0246
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0083	0.6224	1
Entamoeba histolytica	protein kinase, putative	0.0043	0.298	0.298
Echinococcus granulosus	Protein kinase C brain isozyme	0.0043	0.298	0.4438
Echinococcus multilocularis	protein kinase c epsilon type	0.0043	0.298	0.4438
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0009	0.0235	0.0162
Echinococcus multilocularis	serine threonine protein kinase	0.0043	0.298	0.4438
Trypanosoma cruzi	Protein kinase B	0.0088	0.6622	1
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0043	0.298	0.4438
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2631	0.2576
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0083	0.6224	0.9393
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0126	0.9602	0.9599
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0043	0.298	0.2928
Schistosoma mansoni	serine/threonine protein kinase	0.0043	0.298	0.4438
Trichomonas vaginalis	AGC family protein kinase	0.013	1	1
Schistosoma mansoni	60S ribosomal protein L21	0.0007	0.0091	0.0026
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0043	0.298	0.4438
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0091	0.0026
Trichomonas vaginalis	AGC family protein kinase	0.0043	0.298	0.298
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0009	0.0235	0.0235
Trichomonas vaginalis	AGC family protein kinase	0.013	1	1
Echinococcus multilocularis	rac serine:threonine kinase	0.0088	0.6622	1
Echinococcus granulosus	Glutaredoxin protein 5	0.0083	0.615	0.9279
Echinococcus granulosus	serine/threonine protein kinase	0.0088	0.6622	1
Trichomonas vaginalis	AGC family protein kinase	0.013	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0235	0.0162
Echinococcus granulosus	hyperpolarization activated cyclic	0.0009	0.0235	0.0246
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.0564	0.0747
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.2868	0.2868
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.3431	0.5127
Schistosoma mansoni	serine/threonine protein kinase	0.0043	0.298	0.4438
Schistosoma mansoni	serine/threonine-protein kinase	0.0088	0.6622	1
Trichomonas vaginalis	AGC family protein kinase	0.0043	0.298	0.298
Schistosoma mansoni	voltage-gated potassium channel	0.0009	0.0235	0.0246
Brugia malayi	p70 ribosomal S6 kinase beta	0.0126	0.9602	0.9599
Echinococcus granulosus	serine threonine protein kinase nrc	0.0083	0.6224	0.9393
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0043	0.298	0.4438
Brugia malayi	Protein kinase domain containing protein	0.0043	0.298	0.2928
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0013	0.0564	0.0747
Schistosoma mansoni	serine/threonine-protein kinase	0.0088	0.6622	1
Giardia lamblia	Kinase, AGC PKA	0.0083	0.6224	0.5
Trichomonas vaginalis	AGC family protein kinase	0.013	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0564	0.0747
Schistosoma mansoni	atypical protein kinase C	0.0043	0.298	0.4438
Trichomonas vaginalis	AGC family protein kinase	0.013	1	1
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0009	0.0235	0.0162
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0043	0.298	0.4438
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0043	0.298	0.2928
Loa Loa (eye worm)	hypothetical protein	0.0043	0.298	0.2928
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0564	0.0493
Schistosoma mansoni	serine/threonine protein kinase	0.0043	0.298	0.4438
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0088	0.6622	0.6622
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.3103	0.3051
Entamoeba histolytica	protein kinase, putative	0.013	1	1
Echinococcus multilocularis	nervana 2	0.0083	0.615	0.9279
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0083	0.615	0.9279
Brugia malayi	Hr1 repeat family protein	0.0043	0.298	0.2928
Echinococcus multilocularis	Glutaredoxin protein 5	0.0083	0.615	0.9279
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0043	0.298	0.2928
Trichomonas vaginalis	AGC family protein kinase	0.013	1	1
Leishmania major	protein kinase, putative	0.0007	0.0074	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.3103	0.3051
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0009	0.0235	0.0246
Echinococcus granulosus	serine:threonine protein kinase N2	0.0043	0.298	0.4438
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0043	0.298	0.2928
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.3103	0.4625
Brugia malayi	Protein kinase domain containing protein	0.0043	0.298	0.2928
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0564	0.0747
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0043	0.298	0.2928
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0009	0.0235	0.0246
Entamoeba histolytica	protein kinase 2, putative	0.0083	0.6224	0.6224
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0009	0.0235	0.0246
Echinococcus granulosus	protein kinase c epsilon type	0.0043	0.298	0.4438
Entamoeba histolytica	protein kinase, putative	0.013	1	1
Brugia malayi	protein kinase C II.	0.0043	0.298	0.2928
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0009	0.0235	0.0246
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0088	0.6622	0.6622

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Antitumor activity in human A2780 cells xenografted mouse assessed as decrease in tumor weight at 50 mg/kg, sc administered three times a day twice a week for five cycles	ChEMBL.	18479914
Activity (functional)	= 21 %	Inhibition of Akt1 in mouse lung at 50 mg/kg, ip administered three times a day after 10 hrs by IP kinase assay	ChEMBL.	18479914
Activity (functional)	= 21 %	Inhibition of Akt1 in mouse lung at 50 mg/kg, ip administered three times a day after 10 hrs by IP kinase assay	ChEMBL.	18479914
Activity (functional)	= 41 %	Inhibition of Akt2 in mouse lung at 50 mg/kg, ip administered three times a day after 10 hrs by IP kinase assay	ChEMBL.	18479914
Activity (functional)	= 41 %	Inhibition of Akt2 in mouse lung at 50 mg/kg, ip administered three times a day after 10 hrs by IP kinase assay	ChEMBL.	18479914
Activity (functional)	= 62 %	Inhibition of Akt1 in mouse lung at 50 mg/kg, ip administered three times a day after 16 hrs by IP kinase assay	ChEMBL.	18479914
Activity (functional)	= 62 %	Inhibition of Akt1 in mouse lung at 50 mg/kg, ip administered three times a day after 16 hrs by IP kinase assay	ChEMBL.	18479914
Activity (functional)	= 86 %	Inhibition of Akt2 in mouse lung at 50 mg/kg, ip administered three times a day after 16 hrs by IP kinase assay	ChEMBL.	18479914
Activity (functional)	= 86 %	Inhibition of Akt2 in mouse lung at 50 mg/kg, ip administered three times a day after 16 hrs by IP kinase assay	ChEMBL.	18479914
Activity (functional)	= 91 %	Inhibition of Akt2 in mouse lung at 50 mg/kg, ip administered three times a day after 24 hrs by IP kinase assay	ChEMBL.	18479914
Activity (functional)	= 91 %	Inhibition of Akt2 in mouse lung at 50 mg/kg, ip administered three times a day after 24 hrs by IP kinase assay	ChEMBL.	18479914
Activity (functional)	= 100 %	Inhibition of Akt1 in mouse lung at 50 mg/kg, ip administered three times a day after 24 hrs by IP kinase assay	ChEMBL.	18479914
Activity (functional)	= 100 %	Inhibition of Akt1 in mouse lung at 50 mg/kg, ip administered three times a day after 24 hrs by IP kinase assay	ChEMBL.	18479914
CL (ADMET)	= 4.6 ml/min.kg	Clearance in rat	ChEMBL.	18479914
Drug uptake (ADMET)	= 0.7 uM	Drug concentration in mouse blood at 50 mg/kg, ip administered three times a day after 24 hrs	ChEMBL.	18479914
Drug uptake (ADMET)	= 0.7 uM	Drug concentration in mouse blood at 50 mg/kg, ip administered three times a day after 24 hrs	ChEMBL.	18479914
Drug uptake (ADMET)	= 2.6 uM	Drug concentration in mouse blood at 50 mg/kg, ip administered three times a day after 16 hrs	ChEMBL.	18479914
Drug uptake (ADMET)	= 2.6 uM	Drug concentration in mouse blood at 50 mg/kg, ip administered three times a day after 16 hrs	ChEMBL.	18479914
Drug uptake (ADMET)	= 13 uM	Drug concentration in mouse blood at 50 mg/kg, ip administered three times a day after 10 hrs	ChEMBL.	18479914
Drug uptake (ADMET)	= 13 uM	Drug concentration in mouse blood at 50 mg/kg, ip administered three times a day after 10 hrs	ChEMBL.	18479914
IC50 (binding)	= 3.5 nM	Inhibition of Akt1 (unknown origin)	ChEMBL.	18479914
IC50 (binding)	= 3.5 nM	Inhibition of Akt1 (unknown origin)	ChEMBL.	18479914
IC50 (binding)	= 16 nM	Inhibition of Akt1 (unknown origin) by cell-based assay	ChEMBL.	18479914
IC50 (binding)	= 16 nM	Inhibition of Akt1 (unknown origin) by cell-based assay	ChEMBL.	18479914
IC50 (binding)	= 42 nM	Inhibition of Akt2 (unknown origin)	ChEMBL.	18479914
IC50 (binding)	= 42 nM	Inhibition of Akt2 (unknown origin)	ChEMBL.	18479914
IC50 (binding)	= 266 nM	Inhibition of Akt2 (unknown origin) by cell-based assay	ChEMBL.	18479914
IC50 (binding)	= 266 nM	Inhibition of Akt2 (unknown origin) by cell-based assay	ChEMBL.	18479914
IC50 (binding)	= 1900 nM	Inhibition of Akt3 (unknown origin)	ChEMBL.	18479914
IC50 (binding)	= 1900 nM	Inhibition of Akt3 (unknown origin)	ChEMBL.	18479914
IC50 (binding)	= 5610 nM	Inhibition of human ERG	ChEMBL.	18479914
IC50 (binding)	= 5610 nM	Inhibition of human ERG	ChEMBL.	18479914
IC50 (binding)	> 50000 nM	Inhibition of PKA (unknown origin)	ChEMBL.	18479914
IC50 (binding)	> 50000 nM	Inhibition of PKC (unknown origin)	ChEMBL.	18479914
IC50 (binding)	> 50000 nM	Inhibition of SGK (unknown origin)	ChEMBL.	18479914
Inhibition (functional)	= 54 %	Inhibition of AKT2 in A2780 cells xenografted mouse tumor tissue at 50 mg/kg, twice daily after 2 hrs by IP kinase assay	ChEMBL.	18479914
Inhibition (functional)	= 54 %	Inhibition of AKT2 in A2780 cells xenografted mouse tumor tissue at 50 mg/kg, twice daily after 2 hrs by IP kinase assay	ChEMBL.	18479914
Inhibition (functional)	= 75 %	Inhibition of AKT2 in A2780 cells xenografted mouse lung tissue at 50 mg/kg, twice daily after 2 hrs by IP kinase assay	ChEMBL.	18479914
Inhibition (functional)	= 75 %	Inhibition of AKT2 in A2780 cells xenografted mouse lung tissue at 50 mg/kg, twice daily after 2 hrs by IP kinase assay	ChEMBL.	18479914
Inhibition (functional)	= 80 %	Inhibition of AKT1 in A2780 cells xenografted mouse lung tissue at 50 mg/kg, twice daily after 2 hrs by IP kinase assay	ChEMBL.	18479914
Inhibition (functional)	= 80 %	Inhibition of AKT1 in A2780 cells xenografted mouse lung tissue at 50 mg/kg, twice daily after 2 hrs by IP kinase assay	ChEMBL.	18479914
Inhibition (functional)	= 95 %	Inhibition of AKT1 in A2780 cells xenografted mouse tumor tissue at 50 mg/kg, twice daily after 2 hrs by IP kinase assay	ChEMBL.	18479914
Inhibition (functional)	= 95 %	Inhibition of AKT1 in A2780 cells xenografted mouse tumor tissue at 50 mg/kg, twice daily after 2 hrs by IP kinase assay	ChEMBL.	18479914
LogP	= 3.51	Partition coefficient, log P of the compound	ChEMBL.	18479914
PB (ADMET)	= 97.3 %	Protein binding in human plasma	ChEMBL.	18479914
t1/2 (ADMET)	= 3.8 hr	Half life in rat	ChEMBL.	18479914

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: CHEMBL262341

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 510951