TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 424.374 | Formula: C19H19F3N4O4
H donors: 1 H acceptors: 2 LogP: 1.64 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCc2c1cccc2OC(F)(F)F)Cc1nc(cc(=O)[nH]1)N1CCOCC1
InChi: 1S/C19H19F3N4O4/c20-19(21,22)30-14-3-1-2-13-12(14)4-5-26(13)18(28)10-15-23-16(11-17(27)24-15)25-6-8-29-9-7-25/h1-3,11H,4-10H2,(H,23,24,27)
InChiKey: NWRXYTMCKVBTKP-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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 beta	Starlite/ChEMBL	References
Homo sapiens	v-akt murine thymoma viral oncogene homolog 1		No references
Homo sapiens	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	Starlite/ChEMBL	References
Homo sapiens	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit gamma	Starlite/ChEMBL	References
Homo sapiens	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit delta	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Entamoeba histolytica	PH domain containing 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
Echinococcus multilocularis	Glutaredoxin protein 5	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
Trypanosoma cruzi	rac serine-threonine kinase, 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
Echinococcus granulosus	nervana 2	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	phosphatidylinositol 3-kinase 2, putative	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
Trichomonas vaginalis	AGC family 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	protein kinase, putative	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
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus multilocularis	nervana 2	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	ko:K04456 RAC 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
Schistosoma japonicum	RAC serine/threonine-protein kinase, 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
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit beta-1, 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 granulosus	calcium:calmodulin dependent protein kinase	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
Trypanosoma cruzi	Protein kinase B	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
Trypanosoma cruzi	rac serine-threonine kinase, putative	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	phosphatidylinositol 3-kinase catalytic subunit gamma, 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
Leishmania infantum	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Brugia malayi	p70 ribosomal S6 kinase beta	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	phosphatidylinositol kinase, 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 granulosus	serine/threonine 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
Loa Loa (eye worm)	AGC/AKT protein kinase	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
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 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
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	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
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	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	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma japonicum	ko:K07390 monothiol glutaredoxin, 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
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Candida albicans	protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Loa Loa (eye worm)	phosphatidylinositol 3	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
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, 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
Echinococcus granulosus	Glutaredoxin protein 5	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
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Giardia lamblia	Kinase, AGC PKA	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
Leishmania mexicana	phosphatidylinositol 3-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
Trichomonas vaginalis	AGC family 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
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
Trichomonas vaginalis	AGC family protein kinase	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	phosphatidylinositol 4,5 bisphosphate 3 kinase	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
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	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

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
Entamoeba histolytica	hypothetical protein	0.0415	0.5759	0.8338
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.008	0.0781	0.0781
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0374	0.5146	0.7381
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0493	0.6906	1
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0566	0.7998	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0157	0.1929	0.2592
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0566	0.7998	0.7998
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.008	0.0781	0.5
Echinococcus granulosus	Mastin	0.0566	0.7998	0.7998
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0566	0.7998	0.7998
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0157	0.1929	0.2793
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0566	0.7998	0.7998
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.008	0.0781	0.1131
Echinococcus multilocularis	transmembrane protease serine 3	0.0566	0.7998	0.7998
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0493	0.6906	0.8609
Loa Loa (eye worm)	phosphatidylinositol 3	0.0139	0.1659	0.1733
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.008	0.0781	0.0781
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0157	0.1929	0.2592
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0566	0.7998	0.7998
Echinococcus multilocularis	glycoprotein Antigen 5	0.0566	0.7998	0.7998
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0297	0.3999	1
Loa Loa (eye worm)	hypothetical protein	0.0566	0.7998	0.9018
Echinococcus granulosus	enteropeptidase	0.0566	0.7998	0.7998
Entamoeba histolytica	protein kinase, putative	0.0038	0.0151	0.0218
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.008	0.0781	0.0803
Brugia malayi	Trypsin family protein	0.0566	0.7998	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0566	0.7998	0.7998
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.008	0.0781	0.0884
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0566	0.7998	0.7998
Brugia malayi	Trypsin-like protease protein 5	0.0566	0.7998	1
Echinococcus multilocularis	Zinc finger, PHD finger	0.008	0.0781	0.0781
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0139	0.1659	0.2402
Loa Loa (eye worm)	hypothetical protein	0.0566	0.7998	0.9018
Brugia malayi	Trypsin family protein	0.0566	0.7998	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.008	0.0781	0.1131
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.008	0.0781	1
Entamoeba histolytica	protein kinase, putative	0.004	0.0187	0.0271
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.008	0.0781	0.3409
Onchocerca volvulus		0.0566	0.7998	0.5
Schistosoma mansoni	hypothetical protein	0.0566	0.7998	0.7998
Echinococcus multilocularis	enteropeptidase	0.0566	0.7998	0.7998
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0208	0.2685	0.323
Mycobacterium ulcerans	hypothetical protein	0.0566	0.7998	0.5
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0493	0.6906	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0566	0.7998	0.7998
Echinococcus granulosus	glycoprotein Antigen 5	0.0566	0.7998	0.7998
Schistosoma mansoni	hypothetical protein	0.0566	0.7998	0.7998
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0474	0.6636	0.9609
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.008	0.0781	0.0781
Loa Loa (eye worm)	hypothetical protein	0.0566	0.7998	0.9018
Loa Loa (eye worm)	AGC/AKT protein kinase	0.004	0.0187	0.0042
Loa Loa (eye worm)	trypsin family protein	0.0566	0.7998	0.9018
Entamoeba histolytica	protein kinase, putative	0.004	0.0187	0.0271
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0566	0.7998	0.7998
Echinococcus multilocularis	Mastin	0.0566	0.7998	0.7998
Brugia malayi	Trypsin family protein	0.0566	0.7998	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0276	0.3689	0.4509
Schistosoma mansoni	cercarial elastase (S01 family)	0.0566	0.7998	0.7998
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0276	0.3689	0.3689
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0157	0.1929	0.2266
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0566	0.7998	0.7998
Schistosoma mansoni	cercarial elastase (S01 family)	0.0566	0.7998	0.7998
Brugia malayi	Protein kinase domain containing protein	0.004	0.0187	0.0047
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.008	0.0781	0.0884
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0157	0.1929	0.2793
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0157	0.1929	0.2793
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0415	0.5759	0.8338
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0566	0.7998	0.7998
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.008	0.0781	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0566	0.7998	0.7998
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0493	0.6906	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0624	0.8852	1
Onchocerca volvulus		0.0566	0.7998	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0566	0.7998	0.7998
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0157	0.1929	0.2592
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0199	0.2541	0.3679
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.008	0.0781	0.0781
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0566	0.7998	0.7998
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.008	0.0781	0.0781
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0374	0.5146	0.7381
Schistosoma mansoni	cercarial elastase (S01 family)	0.0566	0.7998	0.7998
Loa Loa (eye worm)	hypothetical protein	0.0276	0.3689	0.4066
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0566	0.7998	0.7998
Schistosoma mansoni	cercarial elastase (S01 family)	0.0566	0.7998	0.7998
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0493	0.6906	1
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.008	0.0781	0.5
Loa Loa (eye worm)	hypothetical protein	0.0566	0.7998	0.9018
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0157	0.1929	0.1929
Leishmania major	phosphatidylinositol 3-kinase, putative	0.008	0.0781	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0493	0.6906	1
Onchocerca volvulus		0.0566	0.7998	0.5
Loa Loa (eye worm)	hypothetical protein	0.0566	0.7998	0.9018
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.008	0.0781	0.1131
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0157	0.1929	1
Loa Loa (eye worm)	hypothetical protein	0.0566	0.7998	0.9018
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.008	0.0781	1
Loa Loa (eye worm)	hypothetical protein	0.0217	0.2809	0.3055
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.008	0.0781	0.0725
Echinococcus granulosus	transmembrane protease serine 3	0.0566	0.7998	0.7998
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.008	0.0781	0.1131
Brugia malayi	hypothetical protein	0.0566	0.7998	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0566	0.7998	0.7998
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0566	0.7998	0.7998
Brugia malayi	Trypsin family protein	0.0566	0.7998	1
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0276	0.3689	0.3689
Schistosoma mansoni	cercarial elastase (S01 family)	0.0566	0.7998	0.7998
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.008	0.0781	0.0884
Loa Loa (eye worm)	hypothetical protein	0.0566	0.7998	0.9018
Schistosoma mansoni	cercarial elastase (S01 family)	0.0566	0.7998	0.7998
Onchocerca volvulus		0.0566	0.7998	0.5
Onchocerca volvulus		0.0566	0.7998	0.5
Onchocerca volvulus		0.0566	0.7998	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0493	0.6906	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0566	0.7998	0.7998

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 33 nM	Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HTRF assay	ChEMBL.	24387221
IC50 (binding)	= 34 nM	Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HTRF assay	ChEMBL.	24387221
IC50 (binding)	= 54 nM	Inhibition of PI3Kbeta-mediated Akt phosphorylation at S473 in PTEN-deficient human PC3 cells after 0.5 to 2 hrs by Immunoblotting assay	ChEMBL.	24387221
IC50 (binding)	= 54 nM	Sandwich Immunoassay	BINDINGDB.	No reference
IC50 (binding)	= 1000 nM	Inhibition of N-terminal ploy-His-tagged human PI3Kalpha expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HTRF assay	ChEMBL.	24387221
IC50 (binding)	= 7418 nM	Inhibition of C-terminal ploy-His-tagged human PI3Kgamma expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HTRF assay	ChEMBL.	24387221
IC50 (ADMET)	= 40 uM	Inhibition of recombinant human CYP3A4	ChEMBL.	24387221
Stabilty (ADMET)	= 48 %	Metabolic stability in human liver microsomes at 5 uM after 20 mins	ChEMBL.	24387221

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

ChEMBL: CHEMBL3112854

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1832560