TDR Targets

Basic information

Technical information

TDR Targets ID: 255900
Name: (2S)-3-[4-(1-benzhydrylazetidin-2-yl)oxypheny l]-2-(2-benzoylanilino)propanoic acid
MW: 582.688 | Formula: C38H34N2O4
H donors: 2 H acceptors: 3 LogP: 6.6 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OC1CCN1C(c1ccccc1)c1ccccc1
InChi: 1S/C38H34N2O4/c41-37(30-16-8-3-9-17-30)32-18-10-11-19-33(32)39-34(38(42)43)26-27-20-22-31(23-21-27)44-35-24-25-40(35)36(28-12-4-1-5-13-28)29-14-6-2-7-15-29/h1-23,34-36,39H,24-26H2,(H,42,43)/t34-,35?/m0/s1
InChiKey: OMWJGDTVCBGYPM-SFCXHYMASA-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-[(1-benzhydryl-2-azetidinyl)oxy]phenyl]-2-(2-benzoylanilino)propanoic acid
(2S)-3-[4-(1-benzhydrylazetidin-2-yl)oxyphenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid
(2S)-3-[4-(1-benzhydrylazetidin-2-yl)oxyphenyl]-2-(2-benzoylanilino)propionic acid
(2S)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[1-[di(phenyl)methyl]azetidin-2-yl]oxyphenyl]propanoic acid
(2S)-3-[4-[[1-[di(phenyl)methyl]-2-azetidinyl]oxy]phenyl]-2-[[2-(oxo-phenylmethyl)phenyl]amino]propanoic acid
(2S)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[1-[di(phenyl)methyl]azetidin-2-yl]oxyphenyl]propionic acid
(2S)-3-[4-[1-[di(phenyl)methyl]azetidin-2-yl]oxyphenyl]-2-[(2-phenylcarbonylphenyl)amino]propanoic acid

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0685	0.2051
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0019	0.0127	0.0381
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0013	0	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.02	0.4154	1
Plasmodium vivax	glutathione reductase, putative	0.0038	0.0552	0.7268
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0015	0.0043	0.0129
Echinococcus granulosus	aldehyde reductase	0.0116	0.2287	0.2287
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0685	0.0685
Echinococcus granulosus	aldo keto reductase	0.0163	0.3339	0.3339
Brugia malayi	Nuclear hormone receptor-like 1	0.0019	0.0127	0.0193
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0759	0.1592
Entamoeba histolytica	aldose reductase, putative	0.0163	0.3339	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0163	0.3339	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0345	0.1034
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0043	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0127	0.0204
Echinococcus multilocularis	aldo keto reductase	0.0163	0.3339	0.3374
Loa Loa (eye worm)	steroid hormone receptor	0.0019	0.0127	0.0204
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0163	0.3339	0.7001
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.2372	0.5665
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0019	0.0127	0.0193
Schistosoma mansoni	aldo-keto reductase	0.0163	0.3339	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0019	0.0127	0.0381
Mycobacterium tuberculosis	Probable dehydrogenase	0.0086	0.1634	0.4893
Mycobacterium tuberculosis	Probable oxidoreductase	0.0163	0.3339	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0163	0.3339	0.7001
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0019	0.0127	0.0193
Brugia malayi	glutathione reductase	0.0038	0.0552	0.0835
Loa Loa (eye worm)	oxidoreductase	0.0163	0.3339	0.8016
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0163	0.3339	0.3339
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0345	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0163	0.3339	0.8016
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Echinococcus multilocularis	ecdysone induced protein 78C	0.0019	0.0127	0.0129
Loa Loa (eye worm)	oxidoreductase	0.0163	0.3339	0.8016
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0127	0.0204
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0163	0.3339	0.3374
Plasmodium vivax	SET domain protein, putative	0.0029	0.0345	0.4547
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0086	0.1634	0.4893
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0019	0.0127	0.0204
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0163	0.3339	0.3339
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.2372	0.5665
Trypanosoma cruzi	trypanothione reductase, putative	0.0038	0.0552	0.1653
Trypanosoma cruzi	aldo/keto reductase, putative	0.0163	0.3339	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0163	0.3339	0.3374
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0163	0.3339	0.3339
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0127	0.0204
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0047	0.0759	0.0759
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0086	0.1634	0.4893
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0019	0.0127	0.0129
Onchocerca volvulus		0.0163	0.3339	0.6919
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0086	0.1634	0.4893
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0127	0.0204
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0019	0.0127	0.0127
Echinococcus multilocularis	aldo keto reductase	0.0163	0.3339	0.3374
Trypanosoma cruzi	aldo/keto reductase, putative	0.0047	0.0759	0.2274
Loa Loa (eye worm)	glutathione reductase	0.0038	0.0552	0.1237
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Echinococcus multilocularis	conserved hypothetical protein	0.0457	0.9895	1
Schistosoma mansoni	nuclear hormone receptor	0.0019	0.0127	0.0381
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0047	0.0759	0.115
Treponema pallidum	NADH oxidase	0.0013	0	0.5
Leishmania major	prostaglandin f synthase, putative	0.0163	0.3339	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0685	0.0685
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0019	0.0127	0.0204
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0163	0.3339	0.3374
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0433	0.0948
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0019	0.0127	0.0193
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0019	0.0127	0.0193
Entamoeba histolytica	aldose reductase, putative	0.0163	0.3339	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0685	0.2051
Schistosoma mansoni	hypothetical protein	0.0015	0.0043	0.0129
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0019	0.0127	0.0193
Mycobacterium ulcerans	hypothetical protein	0.0047	0.0759	0.2274
Echinococcus granulosus	FTZ F1 alpha	0.0019	0.0127	0.0127
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0163	0.3339	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0019	0.0127	0.0381
Onchocerca volvulus		0.0029	0.0345	0.047
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0019	0.0127	0.0204
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0163	0.3339	0.3339
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0769	0.1765
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0019	0.0127	0.0127
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0019	0.0127	0.0129
Echinococcus granulosus	aldo keto reductase	0.0163	0.3339	0.3339
Plasmodium falciparum	thioredoxin reductase	0.0038	0.0552	0.7268
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0163	0.3339	0.5055
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0038	0.0552	0.1653
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0043	0.0044
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0019	0.0127	0.0129
Onchocerca volvulus		0.0163	0.3339	0.6919
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0345	0.0349
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0019	0.0127	0.0193
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0019	0.0127	0.0129
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0086	0.1634	0.339
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0019	0.0127	0.0381
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Echinococcus multilocularis	FTZ F1 alpha	0.0019	0.0127	0.0129
Loa Loa (eye worm)	oxidoreductase	0.0163	0.3339	0.8016
Plasmodium falciparum	aldehyde reductase, putative	0.0047	0.0759	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0163	0.3339	0.3374
Loa Loa (eye worm)	oxidoreductase	0.0163	0.3339	0.8016
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0163	0.3339	0.7001
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0163	0.3339	0.3374
Schistosoma mansoni	aldo-keto reductase	0.0163	0.3339	1
Trypanosoma cruzi	aldo-keto reductase	0.0163	0.3339	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0096	0.1848	0.4223
Echinococcus granulosus	GPCR family 2	0.0015	0.0043	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0019	0.0127	0.0193
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0013	0	0.5
Brugia malayi	nuclear receptor NHR-88	0.0019	0.0127	0.0193
Trichomonas vaginalis	aldo-keto reductase, putative	0.0047	0.0759	0.1592
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0047	0.0759	0.0767
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0019	0.0127	0.0193
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0163	0.3339	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0163	0.3339	0.7001
Onchocerca volvulus		0.0163	0.3339	0.6919
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0163	0.3339	0.3339
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0345	0.1034
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0163	0.3339	0.5055
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0685	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0127	0.0204
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0019	0.0127	0.0204
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0019	0.0127	0.0204
Schistosoma mansoni	retinoic acid receptor RXR	0.0019	0.0127	0.0381
Echinococcus multilocularis	aldo keto reductase	0.0163	0.3339	0.3374
Mycobacterium tuberculosis	Conserved protein	0.0047	0.0759	0.2274
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0047	0.0759	0.2274
Plasmodium vivax	aldehyde reductase, putative	0.0047	0.0759	1
Mycobacterium leprae	Conserved hypothetical protein	0.0116	0.2287	0.5922
Schistosoma mansoni	thyroid hormone receptor	0.0019	0.0127	0.0381
Schistosoma mansoni	coup transcription factor	0.0019	0.0127	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0127	0.0204
Echinococcus granulosus	aldo keto reductase	0.0163	0.3339	0.3339
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0345	0.0349
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0043	0.0065
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0685	0.2051
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0163	0.3339	0.3339
Trichomonas vaginalis	aldo/keto reductase, putative	0.0163	0.3339	0.7001
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0086	0.1634	0.4893
Trichomonas vaginalis	aldo-keto reductase, putative	0.0047	0.0759	0.1592
Loa Loa (eye worm)	thioredoxin reductase	0.0038	0.0552	0.1237
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0013	0	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0345	0.1034
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0019	0.0127	0.0129
Entamoeba histolytica	aldose reductase, putative	0.0163	0.3339	1
Onchocerca volvulus		0.0047	0.0759	0.1362
Echinococcus multilocularis	aldo keto reductase	0.0163	0.3339	0.3374
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0163	0.3339	0.3339
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0047	0.0759	0.1592
Loa Loa (eye worm)	oxidoreductase	0.0163	0.3339	0.8016
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0345	0.1034
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0043	0.0043
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0163	0.3339	0.3339
Schistosoma mansoni	hypothetical protein	0.0015	0.0043	0.0129
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0019	0.0127	0.0193
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0019	0.0127	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0127	0.0204
Leishmania major	trypanothione reductase	0.0038	0.0552	0.1653
Onchocerca volvulus		0.0227	0.4769	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0563	0.0563
Onchocerca volvulus		0.0163	0.3339	0.6919
Trichomonas vaginalis	aldo-keto reductase, putative	0.0047	0.0759	0.1592
Giardia lamblia	Aldose reductase	0.0163	0.3339	1
Trypanosoma brucei	trypanothione reductase	0.0038	0.0552	0.1653
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0163	0.3339	0.3374
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0047	0.0759	0.2274
Brugia malayi	Thioredoxin reductase	0.0038	0.0552	0.0835
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0019	0.0127	0.0193
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0163	0.3339	0.3339
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0345	0.0735
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0163	0.3339	0.3374
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0019	0.0127	0.0127
Trypanosoma brucei	prostaglandin f synthase	0.0163	0.3339	1
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0047	0.0759	0.2274
Mycobacterium tuberculosis	Probable reductase	0.0086	0.1634	0.4893
Toxoplasma gondii	aldose reductase, putative	0.0163	0.3339	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0163	0.3339	0.3374
Brugia malayi	NADH-dependent xylose reductase	0.0047	0.0759	0.115
Onchocerca volvulus		0.0163	0.3339	0.6919
Leishmania major	aldo-keto reductase-like protein	0.0163	0.3339	1
Giardia lamblia	Aldose reductase	0.0163	0.3339	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0685	0.1037
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0019	0.0127	0.0381
Schistosoma mansoni	hypothetical protein	0.0015	0.0043	0.0129
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0345	0.0345
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0096	0.1848	0.5537
Echinococcus granulosus	ecdysone induced protein 78C	0.0019	0.0127	0.0127
Echinococcus multilocularis	aldehyde reductase	0.0116	0.2287	0.2311
Trichomonas vaginalis	set domain proteins, putative	0.0227	0.4769	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0047	0.0759	0.1742
Echinococcus granulosus	voltage gated potassium channel subunit	0.0047	0.0759	0.0759
Onchocerca volvulus		0.0163	0.3339	0.6919
Plasmodium falciparum	aldo-keto reductase, putative	0.0047	0.0759	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0163	0.3339	0.5055
Trichomonas vaginalis	aldo/keto reductase, putative	0.0163	0.3339	0.7001
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0769	0.1164
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0163	0.3339	0.3374
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0019	0.0127	0.0127
Brugia malayi	Steroid receptor seven-up type 2	0.0019	0.0127	0.0193
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0019	0.0127	0.0381
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0563	0.0569
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0163	0.3339	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0019	0.0127	0.0127
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0322	0.0322
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Brugia malayi	MH2 domain containing protein	0.012	0.2372	0.3592
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0769	0.1765
Brugia malayi	Serotonin receptor	0.031	0.6604	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0096	0.1848	0.5537
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0685	0.156
Schistosoma mansoni	thyroid hormone receptor	0.0019	0.0127	0.0381
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0019	0.0127	0.0204
Schistosoma mansoni	RAR-like nuclear receptor	0.0019	0.0127	0.0381
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0685	0.0692
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0019	0.0127	0.0193
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0433	0.0656
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0163	0.3339	0.3374
Plasmodium falciparum	glutathione reductase	0.0038	0.0552	0.7268
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0047	0.0759	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0769	0.1164
Schistosoma mansoni	hypothetical protein	0.0033	0.0433	0.1297
Brugia malayi	ecdysteroid receptor	0.0019	0.0127	0.0193
Schistosoma mansoni	potassium channel beta	0.0047	0.0759	0.2274
Trypanosoma brucei	aldo/keto reductase, putative	0.0047	0.0759	0.2274
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0019	0.0127	0.0127
Mycobacterium ulcerans	oxidoreductase	0.0163	0.3339	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0019	0.0127	0.0129
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0163	0.3339	0.5055
Trichomonas vaginalis	aldo-keto reductase, putative	0.0163	0.3339	0.7001
Brugia malayi	steroid hormone receptor	0.0019	0.0127	0.0193
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0019	0.0127	0.0381
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0043	0.0044
Brugia malayi	Pre-SET motif family protein	0.0029	0.0345	0.0523
Toxoplasma gondii	aldo-keto reductase	0.0047	0.0759	0.2274
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0019	0.0127	0.0193
Brugia malayi	photoreceptor-specific nuclear receptor	0.0019	0.0127	0.0193
Brugia malayi	Pre-SET motif family protein	0.02	0.4154	0.629
Schistosoma mansoni	pol-related	0.0163	0.3339	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0019	0.0127	0.0204
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0163	0.3339	0.3374
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0127	0.0204
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0019	0.0127	0.0193
Toxoplasma gondii	thioredoxin reductase	0.0038	0.0552	0.1653
Brugia malayi	nuclear hormone receptor	0.0019	0.0127	0.0193
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0019	0.0127	0.0127
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0043	0.0044
Echinococcus granulosus	hypothetical protein	0.0163	0.3339	0.3339
Mycobacterium tuberculosis	Probable oxidoreductase	0.0096	0.1848	0.5537
Plasmodium vivax	thioredoxin reductase, putative	0.0038	0.0552	0.7268

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -5.79	Inhibition by 50% of in vitro binding to Peroxisome proliferator activated receptor gamma	ChEMBL.	9836621
Log Ki (binding)	= 5.79	Inhibition by 50% of in vitro binding to Peroxisome proliferator activated receptor gamma	ChEMBL.	9836621

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

PubChem: 10698507

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 255900