TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 366.775 | Formula: C16H16ClFN4O3
H donors: 2 H acceptors: 2 LogP: 0.97 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1ccc(c(c1)Cl)F
InChi: 1S/C16H16ClFN4O3/c17-11-7-10(1-2-12(11)18)19-15(23)8-13-20-14(9-16(24)21-13)22-3-5-25-6-4-22/h1-2,7,9H,3-6,8H2,(H,19,23)(H,20,21,24)
InChiKey: SBBKINLPXCJMBI-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	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	Starlite/ChEMBL	References
Homo sapiens	v-akt murine thymoma viral oncogene homolog 1	Starlite/ChEMBL	No references
Homo sapiens	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit beta	Starlite/ChEMBL	References
Homo sapiens	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit delta	Starlite/ChEMBL	References
Homo sapiens	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit gamma	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	Glutaredoxin protein 5	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:K08792 serum/glucocorticoid regulated 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
Echinococcus granulosus	Glutaredoxin protein 5	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
Toxoplasma gondii	AGC 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
Brugia malayi	Protein kinase domain containing protein	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
Brugia malayi	p70 ribosomal S6 kinase beta	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania mexicana	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Plasmodium vivax	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
Trypanosoma congolense	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	Get druggable targets OG5_127444	All targets in OG5_127444
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
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	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
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	ko:K00922 phosphatidylinositol-4,5-bisphosphate 3-kinase [EC2.7.1.153], putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	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
Schistosoma mansoni	serine/threonine-protein 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 japonicum	Sodium/potassium-transporting ATPase subunit beta-1, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Leishmania donovani	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma mansoni	serine/threonine-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 japonicum	RAC serine/threonine-protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	AGC family 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
Trichomonas vaginalis	AGC family protein kinase	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 granulosus	nervana 2	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus granulosus	calcium:calmodulin dependent 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
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	PH domain containing 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
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_127444	All targets in OG5_127444
Loa Loa (eye worm)	phosphatidylinositol 3	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma brucei	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
Entamoeba histolytica	protein kinase, 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
Schistosoma japonicum	ko:K07390 monothiol glutaredoxin, putative	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
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Plasmodium knowlesi	RAC-beta 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
Entamoeba histolytica	PH domain containing protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania infantum	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus granulosus	serine threonine protein kinase nrc	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	protein kinase 2, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma brucei gambiense	rac serine-threonine kinase, putative,protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	1068 aa	927 aa	29.0 %
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit beta	582 aa	491 aa	25.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0493	0.6904	1
Trichomonas vaginalis	AGC family protein kinase	0.004	0.018	0.0261
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0374	0.5143	0.7449
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.008	0.0774	0.0774
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0199	0.2535	0.3538
Trichomonas vaginalis	AGC family protein kinase	0.004	0.018	0.0261
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0297	0.3994	1
Echinococcus multilocularis	Zinc finger, PHD finger	0.008	0.0774	0.0774
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0493	0.6904	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0701	1	1
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.008	0.0768	0.3993
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0493	0.6904	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.008	0.0774	0.1121
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.008	0.0768	0.9918
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0157	0.1923	0.2785
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.008	0.0774	0.4026
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.008	0.0774	0.0774
Trichomonas vaginalis	AGC family protein kinase	0.004	0.018	0.0261
Onchocerca volvulus		0.008	0.0768	0.2129
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.008	0.0774	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0157	0.1923	0.2785
Echinococcus granulosus	aminopeptidase N	0.0271	0.3607	0.3607
Leishmania major	phosphatidylinositol 3-kinase, putative	0.008	0.0774	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0624	0.8851	1
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.008	0.0774	0.0933
Trypanosoma brucei	Aminopeptidase M1, putative	0.008	0.0768	0.3993
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0157	0.1923	0.1923
Trypanosoma cruzi	Aminopeptidase M1, putative	0.008	0.0768	0.1112
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0493	0.6904	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0157	0.1923	1
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.008	0.0774	0.1121
Trichomonas vaginalis	AGC family protein kinase	0.004	0.018	0.0261
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0493	0.6904	1
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0208	0.268	0.3881
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0052	0.0352	0.0352
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.008	0.0774	1
Trichomonas vaginalis	AGC family protein kinase	0.004	0.018	0.0261
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0276	0.3684	0.3684
Loa Loa (eye worm)	phosphatidylinositol 3	0.0139	0.1652	0.1867
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0276	0.3684	0.3684
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.008	0.0768	0.0768
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.008	0.0768	0.0768
Brugia malayi	hypothetical protein	0.008	0.0768	0.1112
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.008	0.0768	0.1112
Entamoeba histolytica	protein kinase, putative	0.004	0.018	0.0054
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.008	0.0768	0.0768
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0157	0.1923	0.2632
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.008	0.0774	1
Mycobacterium ulcerans	aminopeptidase N PepN	0.008	0.0768	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.008	0.0768	0.0768
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0493	0.6904	1
Loa Loa (eye worm)	hypothetical protein	0.0243	0.319	0.3604
Trichomonas vaginalis	AGC family protein kinase	0.004	0.018	0.0261
Trypanosoma brucei	rac serine-threonine kinase, putative	0.004	0.018	0.0937
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.008	0.0774	0.1121
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0276	0.3684	0.5336
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.008	0.0768	0.0768
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0052	0.0352	0.0509
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.008	0.0768	0.1112
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0415	0.5755	0.8301
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0139	0.1652	0.2393
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0352	0.0397
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.008	0.0768	0.0768
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.008	0.0774	0.0774
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.008	0.0774	0.0875
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0493	0.6904	1
Entamoeba histolytica	aminopeptidase, putative	0.008	0.0768	0.0924
Brugia malayi	p70 ribosomal S6 kinase beta	0.0038	0.0143	0.0208
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0701	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0157	0.1923	0.2785
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.008	0.0768	0.0768
Loa Loa (eye worm)	hypothetical protein	0.0217	0.2804	0.3167
Brugia malayi	Peptidase family M1 containing protein	0.008	0.0768	0.1112
Echinococcus multilocularis	aminopeptidase N	0.0271	0.3607	0.3607
Onchocerca volvulus		0.0271	0.3607	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.008	0.0768	0.1112
Trypanosoma cruzi	aminopeptidase, putative	0.008	0.0768	0.1112
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.008	0.0768	0.0768
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.008	0.0768	0.0768
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0157	0.1923	0.2785
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.008	0.0774	1
Loa Loa (eye worm)	hypothetical protein	0.0276	0.3684	0.4162
Trypanosoma brucei	Aminopeptidase M1, putative	0.008	0.0768	0.3993
Loa Loa (eye worm)	AGC/AKT protein kinase	0.004	0.018	0.0203
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0474	0.6633	0.96
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.008	0.0768	0.0768
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.008	0.0768	0.0768
Brugia malayi	Peptidase family M1 containing protein	0.0271	0.3607	0.5224
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.008	0.0774	0.0774
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.008	0.0774	0.1121
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.008	0.0768	0.0768
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.008	0.0774	0.0774
Trichomonas vaginalis	AGC family protein kinase	0.004	0.018	0.0261
Toxoplasma gondii	AGC kinase	0.0038	0.0143	0.1851
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.008	0.0768	0.9918
Loa Loa (eye worm)	hypothetical protein	0.0191	0.2422	0.2737
Entamoeba histolytica	hypothetical protein	0.0415	0.5755	0.8301
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0052	0.0352	0.0352
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.008	0.0774	0.0933
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.008	0.0774	0.1121
Entamoeba histolytica	protein kinase, putative	0.004	0.018	0.0054
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0157	0.1923	0.2785
Loa Loa (eye worm)	aminopeptidase N	0.008	0.0768	0.0867
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0157	0.1923	0.2632
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.008	0.0774	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.008	0.0774	0.1121
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0038	0.0143	0.0162
Brugia malayi	Protein kinase domain containing protein	0.004	0.018	0.0261
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0219	0.2839	0.3207
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0352	0.0397
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0374	0.5143	0.7449

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2 nM	Inhibition of PI3Kbeta	ChEMBL.	22981333
IC50 (binding)	= 116 nM	BindingDB_Patents: Inhibitory Assay. This test is based on measuring the expression of the AKT protein phosphorylated on serine 473. The phosphorylation of AKT (pAKT) is measured by western blotting in the PC3 human prostate carcinoma line (ATCC CRL-1435), using an antibody that specifically recognises pAKT-S473.On day 1, the PC3 cells are seeded into 6-well plates (TPP, #92006) at the concentration of 0.8x106 cells/well in 1800 ul of DMEM medium (DMEM Gibco #11960-044) containing 10% of foetal calf serum (SVF Gibco, #10500-056) and 1% glutamine (L-Glu Gibco #25030-024), and incubated at 37 C., 5% CO2, overnight.On day 2, the cells are incubated in the presence or absence of the test products for 1 to 2 hours at 37 C. in the presence of 5% CO2. The molecules, diluted in dimethyl sulphoxide (DMSO Sigma #D2650), are added from a 10-times concentrated stock solution, the final percentage of DMSO being 0.1%. The molecules are tested either at a single concentration of less than or equal to 10 uM, or ....	ChEMBL.	No reference
IC50 (binding)	= 116 nM	BindingDB_Patents: Inhibitory Assay. This test is based on measuring the expression of the AKT protein phosphorylated on serine 473. The phosphorylation of AKT (pAKT) is measured by western blotting in the PC3 human prostate carcinoma line (ATCC CRL-1435), using an antibody that specifically recognises pAKT-S473.On day 1, the PC3 cells are seeded into 6-well plates (TPP, #92006) at the concentration of 0.8x106 cells/well in 1800 ul of DMEM medium (DMEM Gibco #11960-044) containing 10% of foetal calf serum (SVF Gibco, #10500-056) and 1% glutamine (L-Glu Gibco #25030-024), and incubated at 37 C., 5% CO2, overnight.On day 2, the cells are incubated in the presence or absence of the test products for 1 to 2 hours at 37 C. in the presence of 5% CO2. The molecules, diluted in dimethyl sulphoxide (DMSO Sigma #D2650), are added from a 10-times concentrated stock solution, the final percentage of DMSO being 0.1%. The molecules are tested either at a single concentration of less than or equal to 10 uM, or ....	ChEMBL.	No reference
IC50 (binding)	= 137 nM	Inhibition of PI3Kdelta	ChEMBL.	22981333
IC50 (binding)	= 1900 nM	Inhibition of PI3Kalpha	ChEMBL.	22981333
IC50 (binding)	= 6710 nM	Inhibition of PI3Kgamma	ChEMBL.	22981333
IC50 (ADMET)	= 40 uM	Inhibition of human recombinant CYP3A4	ChEMBL.	22981333

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: CHEMBL2151926

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1719160