TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 579.601 | Formula: C28H31F2N9O3
H donors: 2 H acceptors: 6 LogP: 2.67 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: Oc1ccc(cc1)C[C@@H](C(=O)N1CCN(CC1)c1nc(nc(n1)n1c(nc2c1cccc2)C(F)F)N1CCOCC1)N
InChi: 1S/C28H31F2N9O3/c29-23(30)24-32-21-3-1-2-4-22(21)39(24)28-34-26(33-27(35-28)38-13-15-42-16-14-38)37-11-9-36(10-12-37)25(41)20(31)17-18-5-7-19(40)8-6-18/h1-8,20,23,40H,9-17,31H2/t20-/m0/s1
InChiKey: MHGMEBPPOVMOGK-FQEVSTJZSA-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 gamma	Starlite/ChEMBL	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 alpha	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
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, 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
Leishmania donovani	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
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, 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
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	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
Loa Loa (eye worm)	phosphatidylinositol 3	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
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	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
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, 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
Entamoeba histolytica	phosphatidylinositol 3-kinase, 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
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, 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
Leishmania mexicana	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

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
Toxoplasma gondii	alpha tubulin TUBA1	0.0391	0.4486	0.3521
Loa Loa (eye worm)	alpha-tubulin	0.0391	0.4486	0.5201
Brugia malayi	alpha-tubulin	0.0391	0.4486	0.5634
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Echinococcus granulosus	Tubulin beta 2C chain	0.0572	0.7711	0.6974
Echinococcus granulosus	tubulin epsilon chain	0.0293	0.2733	0.0395
Trichomonas vaginalis	tubulin, putative	0.0572	0.7711	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0293	0.2733	0.3261
Entamoeba histolytica	tubulin family protein	0.0572	0.7711	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0166	0.0471	0.0198
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0391	0.4486	0.5201
Echinococcus multilocularis	Tubulin beta 2C chain	0.0572	0.7711	0.6974
Trypanosoma cruzi	epsilon tubulin, putative	0.0293	0.2733	0.3545
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0391	0.4486	0.2712
Trypanosoma cruzi	alpha tubulin, putative	0.0391	0.4486	0.5817
Schistosoma mansoni	tubulin subunit alpha	0.0391	0.4486	0.4301
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.4486	0.5634
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.4486	0.5634
Loa Loa (eye worm)	phosphatidylinositol 3	0.0624	0.8624	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0264	0.2223	0.2571
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Brugia malayi	Tubulin beta-1 chain	0.0572	0.7711	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0572	0.7711	1
Leishmania major	beta tubulin	0.0572	0.7711	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0391	0.4486	0.2712
Loa Loa (eye worm)	hypothetical protein	0.0391	0.4486	0.5201
Schistosoma mansoni	tubulin subunit gamma	0.0293	0.2733	0.249
Echinococcus granulosus	tubulin alpha	0.0293	0.2733	0.0395
Echinococcus granulosus	beta tubulin	0.0572	0.7711	0.6974
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0391	0.4486	0.5634
Echinococcus granulosus	Tubulin beta 2C chain	0.0572	0.7711	0.6974
Trypanosoma cruzi	epsilon tubulin, putative	0.0293	0.2733	0.3545
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.4486	0.5634
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0276	0.2434	0.2856
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0374	0.4181	0.5222
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.4486	0.5634
Trypanosoma brucei	alpha tubulin	0.0391	0.4486	0.5634
Plasmodium vivax	tubulin alpha chain, putative	0.0391	0.4486	0.3521
Plasmodium vivax	tubulin alpha chain, putative	0.0391	0.4486	0.3521
Toxoplasma gondii	alpha-tubulin I, putative	0.0391	0.4486	0.3521
Onchocerca volvulus		0.0166	0.0471	0.5
Leishmania major	beta tubulin	0.0572	0.7711	1
Leishmania major	beta tubulin	0.0572	0.7711	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0572	0.7711	0.6974
Schistosoma mansoni	tubulin subunit beta	0.0572	0.7711	0.7634
Loa Loa (eye worm)	tubulin beta-1 chain	0.0572	0.7711	0.8941
Loa Loa (eye worm)	tubulin beta-2A chain	0.0572	0.7711	0.8941
Trichomonas vaginalis	tubulin gamma chain, putative	0.0572	0.7711	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0572	0.7711	0.8941
Loa Loa (eye worm)	tubulin alpha 2	0.0264	0.2223	0.2578
Echinococcus granulosus	Tubulin alpha 1 chain	0.0391	0.4486	0.2712
Echinococcus granulosus	tubulin subunit beta	0.0572	0.7711	0.6974
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Echinococcus multilocularis	tubulin alpha chain	0.0391	0.4486	0.2712
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0226	0.1537	0.1782
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0493	0.6291	0.8078
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0166	0.0471	0.0198
Schistosoma mansoni	alpha tubulin	0.0391	0.4486	0.4301
Echinococcus multilocularis	beta tubulin	0.0572	0.7711	0.6974
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0493	0.6291	0.8159
Trypanosoma brucei	beta tubulin	0.0572	0.7711	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0493	0.6291	0.8078
Giardia lamblia	Beta tubulin	0.0572	0.7711	1
Echinococcus granulosus	tubulin subunit TubB	0.0391	0.4486	0.2712
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Trypanosoma brucei	epsilon tubulin	0.0293	0.2733	0.3261
Echinococcus granulosus	tubulin beta 4A class IVa	0.0572	0.7711	0.6974
Echinococcus granulosus	tubulin gamma 1 chain	0.0293	0.2733	0.0395
Echinococcus granulosus	Tubulin alpha 1 chain	0.0391	0.4486	0.2712
Loa Loa (eye worm)	BEN-1 protein	0.0572	0.7711	0.8941
Echinococcus multilocularis	tubulin alpha	0.0293	0.2733	0.0395
Echinococcus granulosus	tubulin alpha 1C chain	0.0391	0.4486	0.2712
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0391	0.4486	0.5634
Echinococcus multilocularis	tubulin alpha 3 chain	0.0391	0.4486	0.2712
Trypanosoma brucei	beta tubulin	0.0572	0.7711	1
Leishmania major	beta tubulin	0.0572	0.7711	1
Plasmodium falciparum	alpha tubulin 2	0.0391	0.4486	0.3521
Schistosoma mansoni	tubulin subunit epsilon	0.0293	0.2733	0.249
Entamoeba histolytica	tubulin alpha-1 chain	0.0391	0.4486	0.5634
Trypanosoma brucei	beta tubulin	0.0572	0.7711	1
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0297	0.2805	0.0145
Schistosoma mansoni	tubulin subunit alpha	0.0391	0.4486	0.4301
Toxoplasma gondii	beta-1 tubulin, putative	0.0572	0.7711	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0391	0.4486	0.2712
Schistosoma mansoni	tubulin subunit beta	0.0572	0.7711	0.7634
Echinococcus granulosus	Tubulin beta 2C chain	0.0572	0.7711	0.6974
Loa Loa (eye worm)	hypothetical protein	0.0276	0.2434	0.2822
Echinococcus multilocularis	tubulin alpha 1C chain	0.0391	0.4486	0.2712
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Leishmania major	beta tubulin	0.0572	0.7711	1
Trypanosoma brucei	beta tubulin	0.0293	0.2733	0.3261
Giardia lamblia	Beta tubulin	0.0572	0.7711	1
Loa Loa (eye worm)	BEN-1 protein	0.0572	0.7711	0.8941
Echinococcus multilocularis	beta tubulin	0.0572	0.7711	0.6974
Echinococcus granulosus	Tubulin alpha 1 chain	0.0391	0.4486	0.2712
Trichomonas vaginalis	tubulin alpha chain, putative	0.0293	0.2733	0.3261
Toxoplasma gondii	beta-tubulin, putative	0.0572	0.7711	1
Leishmania major	beta tubulin	0.0572	0.7711	1
Echinococcus multilocularis	tubulin alpha chain	0.0391	0.4486	0.2712
Entamoeba histolytica	tubulin gamma chain	0.0293	0.2733	0.3261
Brugia malayi	tubulin alpha chain - mouse	0.0391	0.4486	0.5634
Echinococcus granulosus	Tubulin beta 2C chain	0.0572	0.7711	0.6974
Brugia malayi	Tubulin beta chain	0.0166	0.0471	0.0198
Loa Loa (eye worm)	tubulin alpha 2	0.0264	0.2223	0.2578
Leishmania major	beta tubulin	0.0572	0.7711	1
Echinococcus multilocularis	tubulin alpha chain	0.0391	0.4486	0.2712
Echinococcus multilocularis	tubulin alpha chain	0.0391	0.4486	0.2712
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0391	0.4486	0.2712
Echinococcus granulosus	tubulin alpha 3 chain	0.0391	0.4486	0.2712
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Brugia malayi	Tubulin gamma chain	0.0293	0.2733	0.3261
Loa Loa (eye worm)	tubulin gamma chain	0.0293	0.2733	0.3169
Echinococcus granulosus	Tubulin beta 2C chain	0.0572	0.7711	0.6974
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Trypanosoma cruzi	tubulin gamma chain	0.0293	0.2733	0.3545
Trichomonas vaginalis	tubulin beta chain, putative	0.0166	0.0471	0.0198
Echinococcus multilocularis	tubulin alpha chain	0.0391	0.4486	0.2712
Brugia malayi	Tubulin alpha-2 chain	0.0391	0.4486	0.5634
Echinococcus granulosus	tubulin alpha chain	0.0391	0.4486	0.2712
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0493	0.6291	0.8159
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0157	0.0324	0.042
Loa Loa (eye worm)	tubulin alpha chain	0.0391	0.4486	0.5201
Echinococcus multilocularis	tubulin subunit TubB	0.0391	0.4486	0.2712
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Leishmania major	beta tubulin	0.0572	0.7711	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.4486	0.5634
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0374	0.4181	0.5222
Schistosoma mansoni	alpha tubulin	0.0391	0.4486	0.4301
Leishmania major	alpha tubulin	0.0391	0.4486	0.3521
Echinococcus granulosus	beta tubulin	0.0572	0.7711	0.6974
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0493	0.6291	0.8078
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0391	0.4486	0.5634
Schistosoma mansoni	tubulin subunit beta	0.0572	0.7711	0.7634
Echinococcus granulosus	tubulin alpha chain	0.0391	0.4486	0.2712
Echinococcus multilocularis	hypothetical protein	0.0391	0.4486	0.2712
Entamoeba histolytica	hypothetical protein	0.0415	0.4915	0.6216
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0264	0.2223	0.2578
Echinococcus multilocularis	Tubulin beta 2C chain	0.0572	0.7711	0.6974
Leishmania major	beta tubulin	0.0572	0.7711	1
Echinococcus multilocularis	tubulin epsilon chain	0.0293	0.2733	0.0395
Loa Loa (eye worm)	alpha-tubulin	0.0391	0.4486	0.5201
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0493	0.6291	0.8078
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0415	0.4915	0.6216
Echinococcus multilocularis	tubulin beta 1 chain	0.0572	0.7711	0.6974
Echinococcus multilocularis	Tubulin beta 2C chain	0.0572	0.7711	0.6974
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.4486	0.5634
Entamoeba histolytica	tubulin family protein	0.0572	0.7711	1
Leishmania major	beta tubulin	0.0572	0.7711	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0166	0.0471	0.0198
Loa Loa (eye worm)	tubulin beta chain	0.0572	0.7711	0.8941
Toxoplasma gondii	beta tubulin	0.0572	0.7711	1
Trypanosoma brucei	beta tubulin	0.0572	0.7711	1
Giardia lamblia	Alpha-tubulin	0.0391	0.4486	0.3521
Echinococcus multilocularis	tubulin alpha 1C chain	0.0391	0.4486	0.2712
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0572	0.7711	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0391	0.4486	0.2712
Schistosoma mansoni	tubulin subunit alpha	0.0391	0.4486	0.4301
Echinococcus granulosus	tubulin alpha chain	0.0391	0.4486	0.2712
Giardia lamblia	Beta tubulin	0.0572	0.7711	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0226	0.1537	0.1642
Leishmania major	beta tubulin	0.0572	0.7711	1
Trypanosoma brucei	epsilon tubulin	0.0293	0.2733	0.3261
Echinococcus granulosus	tubulin alpha chain	0.0391	0.4486	0.2712
Echinococcus multilocularis	tubulin gamma 1 chain	0.0293	0.2733	0.0395
Trypanosoma brucei	alpha tubulin	0.0391	0.4486	0.5634
Echinococcus granulosus	tubulin beta 1 chain	0.0572	0.7711	0.6974
Trichomonas vaginalis	tubulin alpha chain, putative	0.0572	0.7711	1
Trypanosoma brucei	alpha tubulin	0.0391	0.4486	0.5634
Trypanosoma brucei	alpha tubulin, putative	0.0166	0.0471	0.0198
Leishmania major	beta tubulin	0.0572	0.7711	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0166	0.0471	0.0198
Echinococcus multilocularis	Tubulin beta 2C chain	0.0572	0.7711	0.6974
Loa Loa (eye worm)	tubulin alpha chain	0.0391	0.4486	0.5201
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0199	0.1058	0.0994
Schistosoma mansoni	tubulin subunit beta	0.0572	0.7711	0.7634
Schistosoma mansoni	alpha tubulin	0.0391	0.4486	0.4301
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0474	0.5967	0.764
Echinococcus multilocularis	peroxisome assembly protein 26	0.0391	0.4486	0.2712
Trypanosoma cruzi	beta tubulin, putative	0.0572	0.7711	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.2223	0.2578
Brugia malayi	Tubulin alpha chain	0.0391	0.4486	0.5634
Plasmodium falciparum	alpha tubulin 1	0.0391	0.4486	0.3521
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0572	0.7711	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0572	0.7711	0.6974
Plasmodium falciparum	tubulin beta chain	0.0572	0.7711	1
Trichomonas vaginalis	tubulin, putative	0.0166	0.0471	0.0198
Trichomonas vaginalis	tubulin gamma chain, putative	0.0293	0.2733	0.3261
Leishmania major	beta tubulin	0.0572	0.7711	1
Schistosoma mansoni	tubulin subunit beta	0.0572	0.7711	0.7634
Leishmania major	beta tubulin	0.0572	0.7711	1
Schistosoma mansoni	tubulin subunit beta	0.0572	0.7711	0.7634
Plasmodium vivax	tubulin beta chain, putative	0.0572	0.7711	1
Brugia malayi	beta-tubulin, identical	0.0572	0.7711	1
Leishmania major	beta tubulin	0.0572	0.7711	1
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0208	0.1231	0.1227
Leishmania major	beta tubulin	0.0572	0.7711	1
Loa Loa (eye worm)	hypothetical protein	0.0217	0.1379	0.1599
Entamoeba histolytica	tubulin alpha chain, putative	0.0391	0.4486	0.5634
Echinococcus granulosus	tubulin alpha chain	0.0391	0.4486	0.2712
Echinococcus granulosus	alpha tubulin	0.0391	0.4486	0.2712
Leishmania major	beta tubulin	0.0572	0.7711	1
Trypanosoma brucei	alpha tubulin	0.0391	0.4486	0.5634
Leishmania major	beta tubulin	0.0572	0.7711	1
Trypanosoma brucei	tubulin gamma chain	0.0293	0.2733	0.3261
Brugia malayi	tubulin alpha-2 chain	0.0391	0.4486	0.5634
Loa Loa (eye worm)	hypothetical protein	0.0226	0.1537	0.1782
Echinococcus multilocularis	tubulin alpha 3 chain	0.0391	0.4486	0.2712
Trypanosoma brucei	epsilon tubulin	0.0293	0.2733	0.3261
Echinococcus multilocularis	tubulin subunit beta	0.0572	0.7711	0.6974
Brugia malayi	Tubulin alpha-2 chain	0.0391	0.4486	0.5634
Loa Loa (eye worm)	beta-tubulin	0.0572	0.7711	0.8941
Echinococcus granulosus	tubulin alpha 3 chain	0.0391	0.4486	0.2712
Trichomonas vaginalis	tubulin, putative	0.0166	0.0471	0.0198
Giardia lamblia	Alpha-tubulin	0.0391	0.4486	0.3521
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0493	0.6291	0.8078

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 220 nM	Inhibition of PI3K-beta (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay	ChEMBL.	23795239
IC50 (binding)	= 1200 nM	Inhibition of PI3K-delta (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay	ChEMBL.	23795239
IC50 (binding)	= 3300 nM	Inhibition of PI3K-alpha (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay	ChEMBL.	23795239
IC50 (binding)	> 10 uM	Inhibition of PI3K-gamma (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay	ChEMBL.	23795239

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: CHEMBL2322667

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1727485