TDR Targets

Basic information

Technical information

TDR Targets ID: 973923
Name: 1-methyl-4-[[3-[2-(5-methyl-2-phenyl-1,3-oxaz ol-4-yl)ethoxy]phenyl]methyl]pyrrole-3-carbox ylic acid
MW: 416.469 | Formula: C25H24N2O4
H donors: 1 H acceptors: 3 LogP: 4.55 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: Cn1cc(c(c1)Cc1cccc(c1)OCCc1nc(oc1C)c1ccccc1)C(=O)O
InChi: 1S/C25H24N2O4/c1-17-23(26-24(31-17)19-8-4-3-5-9-19)11-12-30-21-10-6-7-18(14-21)13-20-15-27(2)16-22(20)25(28)29/h3-10,14-16H,11-13H2,1-2H3,(H,28,29)
InChiKey: JHSHSRHLYPKZBG-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

1-methyl-4-[[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrole-3-carboxylic acid
1-methyl-4-[[3-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]-3-pyrrolecarboxylic acid
1-methyl-4-[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]benzyl]pyrrole-3-carboxylic acid

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	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 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
Onchocerca volvulus		0.0157	0.0243	0.0583
Echinococcus multilocularis	ectonucleotide	0.0295	0.066	0.055
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0351	0.0826	0.0718
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0426	0.1053	1
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.1382	0.3934	0.5
Loa Loa (eye worm)	hypothetical protein	0.0233	0.0473	0.0473
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0157	0.0243	0.0128
Echinococcus granulosus	Endonuclease G	0.0211	0.0405	0.0291
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0157	0.0243	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0162	0.0258	0.0246
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0157	0.0243	0.0128
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0157	0.0243	0.0128
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0162	0.0258	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Trypanosoma brucei	endonuclease G, putative	0.0211	0.0405	0.1993
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0426	0.1053	0.2196
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0162	0.0258	0.0143
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Schistosoma mansoni	protein tyrosine phosphatase	0.0162	0.0258	0.0246
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0157	0.0243	0.0128
Onchocerca volvulus		0.0157	0.0243	0.0583
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0162	0.0258	0.0143
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0157	0.0243	0.0128
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0157	0.0243	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Echinococcus granulosus	geminin	0.0165	0.0268	0.0153
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1382	0.3934	1
Leishmania major	hypothetical protein, conserved	0.0426	0.1053	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0162	0.0258	0.0143
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.1382	0.3934	1
Onchocerca volvulus		0.0157	0.0243	0.0583
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0295	0.066	0.055
Trypanosoma cruzi	hypothetical protein, conserved	0.0426	0.1053	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.3394	1	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Onchocerca volvulus		0.0351	0.0826	0.2071
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0351	0.0826	0.0718
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0157	0.0243	0.0128
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0351	0.0826	0.0815
Onchocerca volvulus		0.0157	0.0243	0.0583
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1382	0.3934	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0157	0.0243	0.0128
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0295	0.066	0.055
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0351	0.0826	0.0718
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0157	0.0243	0.0231
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0956	0.265	0.5
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0157	0.0243	0.0128
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0157	0.0243	0.0128
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0157	0.0243	0.0128
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0157	0.0243	0.0128
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0157	0.0243	0.0128
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0157	0.0243	0.0128
Brugia malayi	Protein-tyrosine phosphatase	0.0238	0.0488	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0162	0.0258	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Onchocerca volvulus		0.0157	0.0243	0.0583
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0157	0.0243	0.0128
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0157	0.0243	0.0128
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0157	0.0243	0.0231
Onchocerca volvulus		0.0157	0.0243	0.0583
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0162	0.0258	0.0143
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.3394	1	1
Onchocerca volvulus		0.0757	0.2051	0.5195
Onchocerca volvulus		0.0157	0.0243	0.0583
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0351	0.0826	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0157	0.0243	0.0231
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0157	0.0243	0.0128
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0351	0.0826	0.0718
Trypanosoma cruzi	endonuclease G, putative	0.0211	0.0405	0.1993
Schistosoma mansoni	endonuclease related	0.0211	0.0405	0.0393
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0157	0.0243	0.0128
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.0211	0.0405	0.5
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0211	0.0405	0.1993
Schistosoma mansoni	hypothetical protein	0.0165	0.0268	0.0256
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0351	0.0826	0.0815
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0351	0.0826	0.0718
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.1382	0.3934	1
Onchocerca volvulus		0.0157	0.0243	0.0583
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0157	0.0243	0.0128
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1382	0.3934	1
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0157	0.0243	0.0243
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0162	0.0258	0.0143
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Onchocerca volvulus		0.0157	0.0243	0.0583
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0351	0.0826	0.0598
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0157	0.0243	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0162	0.0258	0.0246
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0157	0.0243	0.0231
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0162	0.0258	0.0143
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.1382	0.3934	0.3782
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0162	0.0258	0.0143
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0351	0.0826	0.0718
Echinococcus multilocularis	geminin	0.0165	0.0268	0.0153
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0426	0.1053	0.2196
Onchocerca volvulus		0.0157	0.0243	0.0583
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0351	0.0826	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0157	0.0243	0.0128
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1382	0.3934	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1382	0.3934	1
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0162	0.0258	0.0258
Onchocerca volvulus		0.0351	0.0826	0.2071
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0162	0.0258	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0351	0.0826	0.0718
Onchocerca volvulus		0.0157	0.0243	0.0583
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0162	0.0258	0.0143
Onchocerca volvulus	4.1 G protein, putative homolog	0.0157	0.0243	0.0583
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0757	0.2051	0.2051
Schistosoma mansoni	protein tyrosine phosphatase	0.0157	0.0243	0.0231
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0351	0.0826	0.0718
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0157	0.0243	0.0243
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0157	0.0243	0.0128
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Trypanosoma cruzi	endonuclease G, putative	0.0211	0.0405	0.1993
Onchocerca volvulus		0.0157	0.0243	0.0583
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Onchocerca volvulus		0.0157	0.0243	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0826	0.0826
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Schistosoma mansoni	lipoxygenase	0.0115	0.0116	0.0104
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0157	0.0243	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1382	0.3934	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0157	0.0243	0.0128
Schistosoma mansoni	hypothetical protein	0.0165	0.0268	0.0256
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0162	0.0258	0.0246
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0157	0.0243	0.0128
Brugia malayi	endonuclease G, mitochondrial precursor	0.0211	0.0405	0.0166
Echinococcus multilocularis	hypothetical protein	0.0157	0.0243	0.0128
Schistosoma mansoni	hypothetical protein	0.0757	0.2051	0.2041
Trypanosoma brucei	endonuclease G, putative	0.0211	0.0405	0.1993
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0157	0.0243	0.0128
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0157	0.0243	0.0243
Echinococcus multilocularis	neuropeptide receptor A26	0.0451	0.1129	0.1025
Leishmania major	endonuclease G, putative	0.0211	0.0405	0.1993
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0826	0.0826
Onchocerca volvulus		0.0157	0.0243	0.0583
Leishmania major	DNA/RNA non-specific endonuclease-like protein	0.0211	0.0405	0.1993
Echinococcus multilocularis	Endonuclease G	0.0211	0.0405	0.0291
Echinococcus granulosus	neuropeptide s receptor	0.0451	0.1129	0.1025
Schistosoma mansoni	pcd6 interacting protein-related	0.0157	0.0243	0.0231
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0157	0.0243	0.0128
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0157	0.0243	0.0231
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0757	0.2051	0.1853
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Trypanosoma brucei	endonuclease G, putative	0.0211	0.0405	0.1993
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Onchocerca volvulus		0.0157	0.0243	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0157	0.0243	0.0128
Echinococcus granulosus	neuropeptide receptor A26	0.0451	0.1129	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Onchocerca volvulus		0.0157	0.0243	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0295	0.066	0.066
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0791	0.2154	0.2061
Echinococcus multilocularis		0.0157	0.0243	0.0128
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0427	0.1056	0.1045
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0351	0.0826	0.0718
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0157	0.0243	0.0231
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0162	0.0258	0.0246
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.1382	0.3934	0.3934
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0826	0.0826
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.1382	0.3934	1
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0351	0.0826	0.0815
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.3394	1	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.3394	1	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0351	0.0826	0.0718
Onchocerca volvulus		0.0157	0.0243	0.0583
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0157	0.0243	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0243	0.0243
Onchocerca volvulus		0.1382	0.3934	1
Onchocerca volvulus		0.0157	0.0243	0.0583
Onchocerca volvulus		0.0157	0.0243	0.0583
Onchocerca volvulus		0.0157	0.0243	0.0583
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0211	0.0405	0.1993
Onchocerca volvulus		0.0157	0.0243	0.0583
Schistosoma mansoni	protein tyrosine phosphatase	0.0157	0.0243	0.0231
Onchocerca volvulus		0.0157	0.0243	0.0583
Echinococcus granulosus	ectonucleotide	0.0295	0.066	0.055
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0157	0.0243	0.0243
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0157	0.0243	0.0243
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0157	0.0243	0.0231
Trypanosoma cruzi	hypothetical protein, conserved	0.0426	0.1053	1
Onchocerca volvulus		0.0157	0.0243	0.0583
Echinococcus multilocularis	neuropeptide s receptor	0.0451	0.1129	0.1025
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0157	0.0243	0.0128

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 1.47 uM	Agonist activity at human PPARalpha ligand binding domain expressed in HEK293 cells by Gal4 transactivation assay	ChEMBL.	19201606
EC50 (binding)	= 2.37 uM	Agonist activity at human PPARgamma ligand binding domain expressed in HEK293 cells by Gal4 transactivation assay	ChEMBL.	19201606
IC50 (binding)	= 1.67 uM	Binding affinity to PPARgamma by fluorescence polarization assay	ChEMBL.	19201606
IC50 (binding)	= 5.92 uM	Binding affinity to PPARalpha by fluorescence polarization assay	ChEMBL.	19201606
Intrinsic activity (binding)	= 26 %	Intrinsic activity at human PPARalpha ligand binding domain expressed in HEK293 cells at 1 uM by Gal4 transactivation assay relative to GW-2331	ChEMBL.	19201606
Intrinsic activity (binding)	= 72 %	Intrinsic activity at human PPARgamma ligand binding domain expressed in HEK293 cells at 1 uM by Gal4 transactivation assay relative to rosiglitazone	ChEMBL.	19201606

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: CHEMBL473961

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 973923