TDR Targets

Basic information

Technical information

TDR Targets ID: 173049
Name: (2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4- yl)ethoxy]phenyl]-2-pyrrol-1-ylpropanoic acid
MW: 416.469 | Formula: C25H24N2O4
H donors: 1 H acceptors: 3 LogP: 4.79 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)[C@@H](n1cccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
InChi: 1S/C25H24N2O4/c1-18-22(26-24(31-18)20-7-3-2-4-8-20)13-16-30-21-11-9-19(10-12-21)17-23(25(28)29)27-14-5-6-15-27/h2-12,14-15,23H,13,16-17H2,1H3,(H,28,29)/t23-/m0/s1
InChiKey: OCWDFPOKWYMLGH-QHCPKHFHSA-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

(2S)-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]-2-pyrrol-1-yl-propanoic acid
(2S)-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]-2-(1-pyrrolyl)propanoic acid
(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyrrol-1-yl-propanoic acid
(2S)-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]-2-pyrrol-1-yl-propionic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	peroxisome proliferator-activated receptor alpha	Starlite/ChEMBL	References
Homo sapiens	peroxisome proliferator-activated receptor gamma	Starlite/ChEMBL	References
Homo sapiens	peroxisome proliferator-activated receptor delta	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	Get druggable targets OG5_137778	All targets in OG5_137778
Schistosoma japonicum	ko:K08701 nuclear receptor, subfamily 1, invertebrate, putative	Get druggable targets OG5_137778	All targets in OG5_137778
Schistosoma japonicum	IPR008946,Nuclear receptor, ligand-binding,domain-containing	Get druggable targets OG5_137778	All targets in OG5_137778

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	ecdysteroid receptor	peroxisome proliferator-activated receptor delta	441 aa	369 aa	24.7 %
Brugia malayi	ecdysteroid receptor	peroxisome proliferator-activated receptor alpha	468 aa	397 aa	25.4 %
Echinococcus granulosus	ecdysone induced protein 78C	peroxisome proliferator-activated receptor gamma	477 aa	447 aa	28.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0489	0.1149	0.1134
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0232	0.0379	0.0362
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0111	0.0017	0.0017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2743	0.7915	0.7915
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1876	0.5312	0.5312
Leishmania major	hypothetical protein, unknown function	0.0232	0.0379	0.0362
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.3438	1	1
Plasmodium vivax	hypothetical protein	0.0232	0.0379	0.859
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1873	0.5304	0.5304
Loa Loa (eye worm)	phosphatidylinositol 3	0.0232	0.0379	0.0362
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0669	0.1689	0.1675
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0232	0.0379	0.0362
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0232	0.0379	0.0362
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0669	0.1689	0.1675
Loa Loa (eye worm)	phosphatidylinositol 3	0.1192	0.3259	0.3247
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0232	0.0379	0.0362
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1181	0.3227	0.3215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0437	0.0993	0.0993
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0252	0.0438	1
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0252	0.0438	0.0421
Trichomonas vaginalis	immunophilin, putative	0.0111	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0669	0.1689	0.1675
Toxoplasma gondii	target of rapamycin (TOR), putative	0.2568	0.7389	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0353	0.0743	0.0727
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0111	0.0017	0.0017
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0111	0.0017	0.5
Entamoeba histolytica	hypothetical protein	0.0232	0.0379	0.0362
Leishmania major	hypothetical protein, conserved	0.0323	0.0652	0.0636
Schistosoma mansoni	voltage-gated potassium channel	0.0123	0.0054	0.0036
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0432	0.0981	0.0965
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0669	0.1689	0.1675
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0232	0.0379	0.0379
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1181	0.3227	0.3227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3438	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0232	0.0379	0.0362
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0252	0.0438	0.0421
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0512	0.122	0.1205
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.3438	1	1
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0252	0.0438	0.0421
Echinococcus multilocularis		0.0232	0.0379	0.0362
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0292	0.0558	0.0542
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1181	0.3227	0.3227
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0679	0.1721	0.1707
Trichomonas vaginalis	conserved hypothetical protein	0.0512	0.122	0.122
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0252	0.0438	0.0421
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0361	0.0766	0.0766
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.1439	0.4001	0.3991
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0232	0.0379	0.859
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.3438	1	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.2746	0.7923	0.792
Loa Loa (eye worm)	hypothetical protein	0.0744	0.1916	0.1902
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0422	0.0951	0.0935
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0191	0.0255	0.0238
Schistosoma mansoni	hypothetical protein	0.0512	0.122	0.1205
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0232	0.0379	0.859
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0232	0.0379	0.0362
Entamoeba histolytica	protein kinase rad3, putative	0.0669	0.1689	0.1675
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0422	0.0951	0.0951
Mycobacterium leprae	conserved hypothetical protein	0.0232	0.0379	0.5
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.3438	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0252	0.0438	0.0438
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2568	0.7389	0.7389
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0232	0.0379	0.0362
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0669	0.1689	0.1675
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1231	0.3378	0.3367
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0272	0.0499	0.0483
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0252	0.0438	0.0421
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0252	0.0438	0.0421
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0232	0.0379	0.0362
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0232	0.0379	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2568	0.7389	0.7389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2055	0.5851	0.5851
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0232	0.0379	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2568	0.7389	0.7389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1873	0.5304	0.5304
Onchocerca volvulus		0.0232	0.0379	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2306	0.6604	0.6604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2568	0.7389	0.7389
Entamoeba histolytica	hypothetical protein	0.0232	0.0379	0.0362
Trichomonas vaginalis	fk506-binding protein, putative	0.0111	0.0017	0.0017
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0669	0.1689	0.1675
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0595	0.147	0.1455
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.2746	0.7923	0.792
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0232	0.0379	0.0362
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0232	0.0379	0.0362
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0232	0.0379	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2568	0.7389	0.7389
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.3438	1	1
Giardia lamblia	GTOR	0.3438	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0232	0.0379	0.859
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0252	0.0438	0.0421
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0313	0.0623	0.0606
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0353	0.0743	0.0727
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.0379	0.0379
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0422	0.0951	0.0951
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0232	0.0379	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0679	0.1721	0.1721
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0744	0.1916	0.2193
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0111	0.0017	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3438	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0232	0.0379	0.0362
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0595	0.147	0.1455
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0422	0.0951	0.0935
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.2746	0.7923	0.792
Echinococcus multilocularis	Zinc finger, PHD finger	0.0252	0.0438	0.0421
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2055	0.5851	0.5851
Loa Loa (eye worm)	phosphatidylinositol 3	0.0555	0.1349	0.1334
Brugia malayi	FAT domain containing protein	0.0512	0.122	0.1205
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0252	0.0438	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1873	0.5304	0.5304
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0173	0.0202	0.0185
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0382	0.083	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0437	0.0993	0.0978
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0292	0.0558	0.0558
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0113	0.0022	0.0005
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0232	0.0379	0.859
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0232	0.0379	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2051	0.5838	0.5838
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0252	0.0438	0.0421
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0422	0.0951	0.0935
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2568	0.7389	0.7389
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0232	0.0379	0.859
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3438	1	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0669	0.1689	0.1675
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1876	0.5312	0.5312
Trichomonas vaginalis	conserved hypothetical protein	0.0437	0.0993	0.0993
Giardia lamblia	Hypothetical protein	0.0232	0.0379	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0669	0.1689	0.1689
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0292	0.0558	0.0542
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0422	0.0951	0.0951
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2743	0.7915	0.7915
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0232	0.0379	0.0379
Schistosoma mansoni	hypothetical protein	0.0232	0.0379	0.0362
Toxoplasma gondii	FATC domain-containing protein	0.0669	0.1689	0.1869
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0232	0.0379	0.0362
Leishmania major	phosphatidylinositol kinase, putative	0.0232	0.0379	0.0362
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0512	0.122	0.1205
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1231	0.3378	0.3367
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0252	0.0438	0.0421
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1231	0.3378	0.3367
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0353	0.0743	0.0727
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0232	0.0379	0.859
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0232	0.0379	0.0362
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1231	0.3378	0.3367
Echinococcus granulosus	serine protein kinase ATM	0.0669	0.1689	0.1675
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.3438	1	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1181	0.3227	0.3215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.0379	0.0379
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2743	0.7915	0.7915
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0669	0.1689	0.1675
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0292	0.0558	0.0558
Echinococcus multilocularis	serine protein kinase ATM	0.0669	0.1689	0.1675
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0292	0.0558	0.0542
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.3438	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0113	0.0022	0.0005
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1231	0.3378	0.3367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2055	0.5851	0.5851
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1181	0.3227	0.3227
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1231	0.3378	0.3367
Trichomonas vaginalis	conserved hypothetical protein	0.0744	0.1916	0.1916
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.3438	1	1
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0232	0.0379	0.0362
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0361	0.0766	0.0766
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0321	0.0646	0.0629
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0113	0.0022	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0232	0.0379	0.0362
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.3438	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0292	0.0558	0.0542
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.3438	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0669	0.1689	0.1689
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1192	0.3259	0.3247
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0292	0.0558	0.0558
Schistosoma mansoni	voltage-gated potassium channel	0.0123	0.0054	0.0036
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1181	0.3227	0.3227
Entamoeba histolytica	hypothetical protein	0.0382	0.083	0.0814
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0113	0.0022	0.0005
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0252	0.0438	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0232	0.0379	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0692	0.176	0.1745
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0437	0.0993	0.0978
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2231	0.6377	0.6377
Loa Loa (eye worm)	hypothetical protein	0.0512	0.122	0.1205
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0924	0.2456	0.2456
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0252	0.0438	0.0438
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2051	0.5838	0.5838
Entamoeba histolytica	hypothetical protein	0.0232	0.0379	0.0362
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0252	0.0438	0.0421
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2743	0.7915	0.7915
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0595	0.147	0.1455
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0292	0.0558	0.0542
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1876	0.5312	0.5312
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0232	0.0379	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1192	0.3259	0.3259
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0669	0.1689	0.1675
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0232	0.0379	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2568	0.7389	0.7389
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0489	0.1149	0.1134
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1876	0.5312	0.5312
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0252	0.0438	0.0421
Loa Loa (eye worm)	phosphatidylinositol 3	0.3438	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0232	0.0379	0.0362
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0292	0.0558	0.0542
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0232	0.0379	0.0362
Onchocerca volvulus		0.0232	0.0379	0.5
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0669	0.1689	0.1675
Entamoeba histolytica	hypothetical protein	0.0669	0.1689	0.1675
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0422	0.0951	0.0935
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0232	0.0379	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0353	0.0743	0.0727
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.1619	0.4541	0.4531
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0252	0.0438	0.0421
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0232	0.0379	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2743	0.7915	0.7915
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2926	0.8462	0.8462
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0232	0.0379	0.0362
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0252	0.0438	0.0421
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0252	0.0438	0.0085
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.3438	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0252	0.0438	0.0438
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1192	0.3259	0.3247
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0252	0.0438	0.0421

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 64 %	Agonist activity at human PPARalpha expressed in HepG2 cells by GAL4 transactivation assay relative to GW-9578	ChEMBL.	18394907
Activity (functional)	= 115 %	Agonist activity at human PPARgamma expressed in HepG2 cells by GAL4 transactivation assay relative to darglitazone	ChEMBL.	18394907
EC50 (binding)	= 5.44	Transactivation of Homo sapiens (human) PPARalpha assessed as luciferase activity by reporter gene assay	ChEMBL.	No reference
EC50 (binding)	= 8.33	Transactivation of Homo sapiens (human) PPARgamma assessed as luciferase activity by reporter gene assay	ChEMBL.	No reference
EC50 (functional)	= 4.7 nM	Maximal reporter activity against human Peroxisome proliferator activated receptor gamma Gal4 chimeric in transiently transfected CV-1 cells by functional assay.	ChEMBL.	11720854
EC50 (functional)	= 4.7 nM	Maximal reporter activity against human Peroxisome proliferator activated receptor gamma Gal4 chimeric in transiently transfected CV-1 cells by functional assay.	ChEMBL.	11720854
EC50 (functional)	= 4.7 nM	Agonist activity at PPARgamma	ChEMBL.	18394907
EC50 (functional)	= 20 nM	Maximal reporter activity against human Peroxisome proliferator activated receptor gamma Gal4 chimeric in transiently transfected CV-1 cells by functional assay.	ChEMBL.	11720854
EC50 (functional)	= 20 nM	Maximal reporter activity against human Peroxisome proliferator activated receptor gamma Gal4 chimeric in transiently transfected CV-1 cells by functional assay.	ChEMBL.	11720854
EC50 (functional)	= 1300 nM	Maximal reporter activity against human Peroxisome proliferator activated receptor alpha Gal4 chimeric in transiently transfected CV-1 cells by functional assay.	ChEMBL.	11720854
EC50 (functional)	= 1300 nM	Maximal reporter activity against human Peroxisome proliferator activated receptor alpha Gal4 chimeric in transiently transfected CV-1 cells by functional assay.	ChEMBL.	11720854
EC50 (functional)	= 3600 nM	Maximal reporter activity against human Peroxisome proliferator activated receptor alpha Gal4 chimeric in transiently transfected CV-1 cells by functional assay.	ChEMBL.	11720854
EC50 (functional)	= 3600 nM	Maximal reporter activity against human Peroxisome proliferator activated receptor alpha Gal4 chimeric in transiently transfected CV-1 cells by functional assay.	ChEMBL.	11720854
EC50 (functional)	= 3600 nM	Agonist activity at PPARalpha	ChEMBL.	18394907
EC50 (functional)	= 3800 nM	Concentration of the compound that gave 50% of maximal reporter activity against human Peroxisome proliferator activated receptor delta Gal4 chimeric in transiently transfected CV-1 cells by functional assay.	ChEMBL.	11720854
EC50 (functional)	= 3800 nM	Concentration of the compound that gave 50% of maximal reporter activity against human Peroxisome proliferator activated receptor delta Gal4 chimeric in transiently transfected CV-1 cells by functional assay.	ChEMBL.	11720854
EC50 (functional)	= 0.026 uM	Agonist activity at human PPARgamma expressed in HepG2 cells by GAL4 transactivation assay	ChEMBL.	18394907
EC50 (functional)	= 0.684 uM	Agonist activity at human PPARalpha expressed in HepG2 cells by GAL4 transactivation assay	ChEMBL.	18394907
IC50 (binding)	= 0.029 uM	Displacement of [3H]darglitazone from human PPARgamma by scintillation proximity assay	ChEMBL.	18394907
IC50 (binding)	= 0.697 uM	Displacement of [3H2]nTZD4 from human PPARalpha by scintillation proximity assay	ChEMBL.	18394907
Increase (functional)	= 31 %	In vivo efficacy expressed as increase in HDL-cholesterol after at a dose of 10 mg/kg, oral,for 14 days in male rats	ChEMBL.	11720854
Ki (binding)	= 6.9 nM	Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay	ChEMBL.	11720854
Ki (binding)	= 6.9 nM	Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay	ChEMBL.	11720854
Ki (binding)	= 6.9 nM	Binding affinity at PPARgamma	ChEMBL.	18394907
Ki (binding)	= 51 nM	Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay	ChEMBL.	11720854
Ki (binding)	= 51 nM	Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay	ChEMBL.	11720854
Ki (binding)	= 560 nM	Binding affinity to human Peroxisome proliferator activated receptor alpha using scintillation proximity assay	ChEMBL.	11720854
Ki (binding)	= 560 nM	Binding affinity to human Peroxisome proliferator activated receptor alpha using scintillation proximity assay	ChEMBL.	11720854
Ki (binding)	= 560 nM	Binding affinity at PPARalpha	ChEMBL.	18394907
Ki (binding)	= 2500 nM	Binding affinityto bind to human Peroxisome proliferator activated receptor delta using scintillation proximity assay	ChEMBL.	11720854
Ki (binding)	= 2500 nM	Binding affinityto bind to human Peroxisome proliferator activated receptor delta using scintillation proximity assay	ChEMBL.	11720854
Ki (binding)	= 2600 nM	Binding affinity to human Peroxisome proliferator activated receptor alpha using scintillation proximity assay	ChEMBL.	11720854
Ki (binding)	= 2600 nM	Binding affinity to human Peroxisome proliferator activated receptor alpha using scintillation proximity assay	ChEMBL.	11720854
Reduction (functional)	= 24 %	In vivo efficacy expressed as reduction in fasting serum triglycerides at a dose of 10 mg/kg, oral,for 14 days in male rats	ChEMBL.	11720854
Reduction (functional)	= 40 %	In vivo efficacy expressed as reduction in fasting plasma glucose at a dose of 10 mg/kg, oral,for 14 days in male rats	ChEMBL.	11720854

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: CHEMBL104850
PubChem: 9866595

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 173049