TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 484.52 | Formula: C25H29FN4O5
H donors: 1 H acceptors: 3 LogP: 0.92 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OCCN(C(=O)c1cc(C(Oc2ccc(c(c2)C)F)C)c2n(c1)c(=O)cc(n2)N1CCOCC1)C
InChi: 1S/C25H29FN4O5/c1-16-12-19(4-5-21(16)26)35-17(2)20-13-18(25(33)28(3)6-9-31)15-30-23(32)14-22(27-24(20)30)29-7-10-34-11-8-29/h4-5,12-15,17,31H,6-11H2,1-3H3
InChiKey: VKBQSAJQJLXNTB-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 beta	Starlite/ChEMBL	References
Homo sapiens	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, 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
Leishmania mexicana	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase, 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
Entamoeba histolytica	hypothetical protein	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
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	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
Entamoeba histolytica	phosphatidylinositol 3-kinase, 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
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	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
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, 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
Leishmania infantum	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania donovani	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	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	phosphatidylinositol-glycan biosynthesis class O protein, putative	0.008	0.0265	0.0637
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0615	0.3394	1
Echinococcus multilocularis	gpi ethanolamine phosphate transferase 1	0.008	0.0265	0.0199
Loa Loa (eye worm)	phosphatidylinositol 3	0.0312	0.1624	0.253
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.008	0.0265	0.0199
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0048	0.0075	0.0052
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0509	0.2772	0.5166
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0147	0.008
Brugia malayi	Melibiase family protein	0.0072	0.0218	0.0244
Leishmania major	DNA/RNA non-specific endonuclease-like protein	0.0306	0.1585	1
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0147	0.0526
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0232	0.1156	0.3303
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0232	0.1156	0.3272
Brugia malayi	hypothetical protein	0.008	0.0265	0.0321
Leishmania major	ethanolamine phosphotransferase, putative	0.008	0.0265	0.1303
Toxoplasma gondii	NAC domain-containing protein	0.0072	0.0217	0.0986
Brugia malayi	jmjC domain containing protein	0.0058	0.0136	0.0112
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0104	0.0406	0.0551
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0208	0.1015	0.288
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0157	0.0716	0.1239
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.007	0.0209	0.0931
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0147	0.013
Loa Loa (eye worm)	hypothetical protein	0.0509	0.2772	0.4397
Echinococcus multilocularis	geminin	0.019	0.0906	0.0844
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0107	0.0425	0.036
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0217	0.0449
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.007	0.0209	0.0468
Brugia malayi	hypothetical protein	0.0157	0.0713	0.1049
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0048	0.0075	0.0052
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0232	0.1156	0.7176
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0509	0.2772	0.5166
Echinococcus multilocularis	transcription factor btf3	0.0072	0.0217	0.0151
Echinococcus granulosus	geminin	0.019	0.0906	0.1601
Echinococcus granulosus	transcription factor btf3	0.0072	0.0217	0.0286
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0509	0.2772	0.5166
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0083	0.0284	0.0694
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0072	0.0218	0.0244
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0337	0.1765	0.276
Schistosoma mansoni	endonuclease related	0.0306	0.1585	0.2466
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0232	0.1156	0.7176
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0108	0.0428	0.0586
Treponema pallidum	fructose-bisphosphate aldolase	0.0615	0.3394	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0942	0.5303	0.5271
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0108	0.0428	0.0586
Schistosoma mansoni	transcription factor btf3	0.0072	0.0217	0.0243
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.0136	0.0112
Brugia malayi	endonuclease G, mitochondrial precursor	0.0306	0.1585	0.2466
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0048	0.0075	0.0015
Echinococcus multilocularis	lysine specific demethylase 5A	0.0058	0.0136	0.0069
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.008	0.0265	0.0321
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0615	0.3394	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.007	0.0209	0.0468
Toxoplasma gondii	melibiase subfamily protein	0.0108	0.0428	0.2375
Onchocerca volvulus		0.0509	0.2772	0.4211
Loa Loa (eye worm)	hypothetical protein	0.008	0.0265	0.0321
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0171	0.0798	0.2352
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0072	0.0218	0.0452
Trypanosoma cruzi	transcription factor btf3, putative	0.0072	0.0217	0.0986
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.008	0.0265	0.0199
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0509	0.2772	0.2723
Trypanosoma brucei	GPI ethanolamine phosphate transferase 3, putative	0.008	0.0265	0.1303
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0162	0.0743	0.068
Echinococcus multilocularis	Endonuclease G	0.0306	0.1585	0.1527
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.007	0.0209	0.0425
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0195	0.094	0.2621
Plasmodium vivax	basic transcription factor 3b, putative	0.0072	0.0217	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0509	0.2772	0.2723
Echinococcus multilocularis	gpi ethanolamine phosphate transferase 3	0.008	0.0265	0.0199
Giardia lamblia	Histone acetyltransferase GCN5	0.0044	0.0052	0.0154
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0058	0.0136	0.0069
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0107	0.0425	0.0683
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0615	0.3394	1
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.008	0.0265	0.0321
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.008	0.0265	0.0378
Plasmodium falciparum	basic transcription factor 3b, putative	0.0072	0.0217	0.7738
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0232	0.1156	0.177
Trypanosoma cruzi	transcription factor btf3, putative	0.0072	0.0217	0.0986
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0058	0.0136	0.0131
Brugia malayi	jmjC domain containing protein	0.0058	0.0136	0.0112
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0306	0.1585	1
Loa Loa (eye worm)	ICD-1 protein	0.0072	0.0217	0.0243
Echinococcus multilocularis	Alkaline phosphatase, core domain	0.008	0.0265	0.0199
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0048	0.0075	0.0024
Echinococcus granulosus	lysine specific demethylase 5A	0.0058	0.0136	0.0131
Schistosoma mansoni	hypothetical protein	0.019	0.0906	0.1363
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0046	0.0068	0.0046
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.006	0.0147	0.0526
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0615	0.3394	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0528	0.0749
Loa Loa (eye worm)	acetyltransferase	0.0162	0.0743	0.1098
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.0306	0.1585	1
Loa Loa (eye worm)	hypothetical protein	0.0509	0.2772	0.4397
Echinococcus multilocularis	transferase	0.008	0.0265	0.0199
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0509	0.2772	0.2723
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0615	0.3394	1
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0108	0.0428	0.0688
Schistosoma mansoni	hypothetical protein	0.008	0.0265	0.0321
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0108	0.0428	0.0586
Loa Loa (eye worm)	hypothetical protein	0.008	0.0265	0.0321
Entamoeba histolytica	phosphatidylinositol-glycan biosynthesis class O protein, putative	0.008	0.0265	0.0637
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0615	0.3394	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0425	0.0582
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.007	0.0209	0.0931
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0615	0.3394	1
Schistosoma mansoni	hypothetical protein	0.1098	0.6219	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0942	0.5303	0.5271
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0306	0.1585	1
Brugia malayi	Thrombospondin type 1 domain containing protein	0.1098	0.6219	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.007	0.0209	0.023
Entamoeba histolytica	transcription factor BTF3, putative	0.0072	0.0217	0.0493
Loa Loa (eye worm)	hypothetical protein	0.008	0.0265	0.0321
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0218	0.0244
Trypanosoma cruzi	endonuclease G, putative	0.0306	0.1585	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0162	0.0743	0.1098
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0509	0.2772	0.4397
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0147	0.0526
Onchocerca volvulus		0.0157	0.0713	0.0752
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0509	0.2772	0.5166
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0509	0.2772	0.4397
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.1098	0.6219	1
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0429	0.2304	0.4272
Echinococcus multilocularis	ectonucleotide	0.0429	0.2304	0.2252
Echinococcus granulosus	neuropeptide receptor A26	0.0942	0.5303	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0509	0.2772	0.2723
Brugia malayi	acetyltransferase, GNAT family protein	0.0162	0.0743	0.1098
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0048	0.0075	0.0024
Trypanosoma brucei	endonuclease G, putative	0.0306	0.1585	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0108	0.0428	0.0586
Giardia lamblia	Phosphatidylinositol-glycan biosynthesis, class O protein	0.008	0.0265	0.0782
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0509	0.2772	0.4397
Giardia lamblia	Fructose-bisphosphate aldolase	0.0615	0.3394	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0615	0.3394	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.007	0.0209	0.0425
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0615	0.3394	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0713	0.1049
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0217	0.0449
Brugia malayi	AEL166Cp	0.008	0.0265	0.0321
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0195	0.094	0.2621
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0337	0.1765	0.1709
Echinococcus granulosus	gpi ethanolamine phosphate transferase 3	0.008	0.0265	0.0378
Loa Loa (eye worm)	type I phosphodiesterase/nucleotide pyrophosphatase	0.008	0.0265	0.0321
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0147	0.0152
Schistosoma mansoni	jumonji domain containing protein	0.0058	0.0136	0.0112
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.007	0.0209	0.0425
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.007	0.0209	0.023
Echinococcus granulosus	Endonuclease G	0.0306	0.1585	0.2897
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0048	0.0075	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0509	0.2772	0.4397
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0108	0.0428	0.0363
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0046	0.0068	0.0719
Echinococcus granulosus	transferase	0.008	0.0265	0.0378
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0301	0.1554	1
Trypanosoma brucei	endonuclease G, putative	0.0306	0.1585	1
Trypanosoma brucei	endonuclease G, putative	0.0306	0.1585	1
Leishmania major	endonuclease G, putative	0.0306	0.1585	1
Schistosoma mansoni	hypothetical protein	0.008	0.0265	0.0321
Schistosoma mansoni	hypothetical protein	0.008	0.0265	0.0321
Echinococcus granulosus	neuropeptide s receptor	0.0942	0.5303	1
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0217	0.0449
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.0136	0.0112
Brugia malayi	beta-NAC-like protein	0.0072	0.0217	0.0243
Trypanosoma cruzi	endonuclease G, putative	0.0306	0.1585	1
Onchocerca volvulus		0.1098	0.6219	1
Trypanosoma brucei	transcription factor BTF3, putative	0.0072	0.0217	0.0986
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0301	0.1554	1
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0509	0.2772	0.5166
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0509	0.2772	0.2723
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0509	0.2772	0.4397
Echinococcus granulosus	ectonucleotide	0.0429	0.2304	0.4272
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0072	0.0218	0.0244
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0301	0.1554	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0232	0.1156	0.3272
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0337	0.1765	0.3242
Onchocerca volvulus		0.0509	0.2772	0.4211
Entamoeba histolytica	hypothetical protein	0.0072	0.0217	0.0493
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0615	0.3394	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.006	0.0147	0.013
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0429	0.2304	0.2252
Loa Loa (eye worm)	hypothetical protein	0.0429	0.2304	0.3636
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0108	0.0428	0.0363
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0046	0.0068	0.0046
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.0136	0.0112
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0222	0.1095	0.3119
Mycobacterium ulcerans	hypothetical protein	0.008	0.0265	0.0838
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0509	0.2772	0.4397
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0147	0.013
Loa Loa (eye worm)	hypothetical protein	0.008	0.0265	0.0321
Schistosoma mansoni	hypothetical protein	0.019	0.0906	0.1363
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0107	0.0425	0.0582
Schistosoma mansoni	hypothetical protein	0.008	0.0265	0.0321
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0509	0.2772	0.2723
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0232	0.1156	0.3272
Entamoeba histolytica	hypothetical protein	0.0208	0.1015	0.288
Leishmania major	basic transcription factor 3a, putative	0.0072	0.0217	0.0986
Plasmodium falciparum	GPI ethanolamine phosphate transferase 3, putative	0.008	0.0265	1
Brugia malayi	hypothetical protein	0.008	0.0265	0.0321

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.2 uM	Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay	ChEMBL.	25042253
IC50 (binding)	= 2.4 uM	Inhibition of human recombinant PI3Kalpha assessed as PIP3 production by AlphaScreen assay	ChEMBL.	25042253

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: CHEMBL3318726

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 921573