TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 442.573 | Formula: C27H26N2O2S
H donors: 1 H acceptors: 0 LogP: 5.39 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: S=C(N1CCC2CC1c1cc(ccc21)c1ccc2c(c1)OCO2)NCCc1ccccc1
InChi: 1S/C27H26N2O2S/c32-27(28-12-10-18-4-2-1-3-5-18)29-13-11-21-15-24(29)23-14-19(6-8-22(21)23)20-7-9-25-26(16-20)31-17-30-25/h1-9,14,16,21,24H,10-13,15,17H2,(H,28,32)
InChiKey: QYYKJRCCABSGKW-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0733	0.9085	0.9085
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0212	0.2526	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0733	0.9085	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Onchocerca volvulus		0.0733	0.9085	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0212	0.2526	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0025	0.0166	0.0183
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0025	0.0166	0.0183
Echinococcus granulosus	hypothetical protein	0.0733	0.9085	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0025	0.0166	0.0183
Schistosoma mansoni	potassium channel beta	0.0212	0.2526	0.2781
Echinococcus granulosus	FTZ F1 alpha	0.0025	0.0166	0.0183
Entamoeba histolytica	aldose reductase, putative	0.0733	0.9085	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0025	0.0166	0.0166
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0733	0.9085	0.9085
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0166	0.0183
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0092	0.0092
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0092	0.0101
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0025	0.0166	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0166	0.0183
Trichomonas vaginalis	aldo/keto reductase, putative	0.0733	0.9085	1
Schistosoma mansoni	thyroid hormone receptor	0.0025	0.0166	0.0183
Trypanosoma cruzi	aldo-keto reductase	0.0733	0.9085	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0815	0.0897
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0092	0.0101
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0025	0.0166	0.0183
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0025	0.0166	0.0183
Brugia malayi	photoreceptor-specific nuclear receptor	0.0025	0.0166	0.0183
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0025	0.0166	0.0183
Mycobacterium tuberculosis	Conserved protein	0.0212	0.2526	0.2707
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0429	0.0472
Echinococcus granulosus	aldo keto reductase	0.0733	0.9085	1
Echinococcus granulosus	muscleblind protein	0.015	0.1736	0.1911
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0733	0.9085	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0166	0.0183
Schistosoma mansoni	coup transcription factor	0.0025	0.0166	0.0183
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0733	0.9085	0.9085
Brugia malayi	Nuclear hormone receptor-like 1	0.0013	0.0018	0.002
Onchocerca volvulus	Protein ultraspiracle homolog	0.0025	0.0166	0.0183
Schistosoma mansoni	hypothetical protein	0.0019	0.0092	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0733	0.9085	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0025	0.0166	0.0166
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0025	0.0166	0.0183
Brugia malayi	MH2 domain containing protein	0.0144	0.1668	0.1836
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0025	0.0166	0.0183
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0013	0.0018	0.002
Echinococcus multilocularis	aldo keto reductase	0.0733	0.9085	0.9085
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0013	0.0018	0.002
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0733	0.9085	1
Schistosoma mansoni	hypothetical protein	0.0041	0.037	0.0407
Echinococcus granulosus	aldo keto reductase	0.0733	0.9085	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0733	0.9085	1
Brugia malayi	hypothetical protein	0.0013	0.0018	0.002
Onchocerca volvulus		0.0733	0.9085	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0025	0.0166	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0166	0.0183
Brugia malayi	Nuclear hormone receptor-like 1	0.0013	0.0018	0.002
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0429	0.0472
Toxoplasma gondii	aldose reductase, putative	0.0733	0.9085	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0025	0.0166	0.0183
Echinococcus multilocularis	ecdysone induced protein 78C	0.0025	0.0166	0.0166
Trypanosoma brucei	prostaglandin f synthase	0.0733	0.9085	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0166	0.0183
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0212	0.2526	0.2781
Leishmania major	prostaglandin f synthase, putative	0.0733	0.9085	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0092	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0025	0.0166	0.0183
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0092	0.0101
Loa Loa (eye worm)	oxidoreductase	0.0733	0.9085	1
Toxoplasma gondii	aldo-keto reductase	0.0212	0.2526	0.2707
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0733	0.9085	0.9085
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.061	0.0671
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.002
Schistosoma mansoni	pol-related	0.0733	0.9085	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.1736	0.1911
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0025	0.0166	0.0166
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0025	0.0166	0.0183
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.037	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0166	0.0183
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0025	0.0166	0.0183
Echinococcus multilocularis	muscleblind protein 1	0.015	0.1736	0.1736
Schistosoma mansoni	RAR-like nuclear receptor	0.0025	0.0166	0.0183
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0013	0.0018	0.002
Loa Loa (eye worm)	hypothetical protein	0.015	0.1736	0.1911
Loa Loa (eye worm)	oxidoreductase	0.0733	0.9085	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0733	0.9085	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0212	0.2526	0.2707
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0092	0.0092
Onchocerca volvulus	Bile acid receptor homolog	0.0025	0.0166	0.0183
Brugia malayi	Nuclear hormone receptor-like 1	0.0025	0.0166	0.0183
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0733	0.9085	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0429	0.0472
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0429	0.0429
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0429	0.0472
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0025	0.0166	0.0183
Schistosoma mansoni	nuclear hormone receptor	0.0025	0.0166	0.0183
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0815	0.0897
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0733	0.9085	0.9085
Loa Loa (eye worm)	hypothetical protein	0.006	0.061	0.0671
Loa Loa (eye worm)	oxidoreductase	0.0733	0.9085	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0092	0.0101
Brugia malayi	ecdysteroid receptor	0.0025	0.0166	0.0183
Entamoeba histolytica	aldose reductase, putative	0.0733	0.9085	1
Loa Loa (eye worm)	steroid hormone receptor	0.0025	0.0166	0.0183
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0092	0.0092
Trichomonas vaginalis	aldo/keto reductase, putative	0.0733	0.9085	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0092	0.0101
Entamoeba histolytica	aldose reductase, putative	0.0733	0.9085	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0429	0.0429
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0733	0.9085	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0212	0.2526	0.2707
Brugia malayi	nuclear receptor RXR	0.0013	0.0018	0.002
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1668	0.1836
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0733	0.9085	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0025	0.0166	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0166	0.0183
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0013	0.0018	0.0018
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0092	0.0092
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0815	0.0815
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0429	0.0472
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0733	0.9085	0.9085
Brugia malayi	steroid hormone receptor	0.0025	0.0166	0.0183
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0092	0.0101
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1668	0.1836
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0212	0.2526	0.2707
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0212	0.2526	0.2781
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0025	0.0166	0.0183
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0815	0.0897
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0025	0.0166	0.0183
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0733	0.9085	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0212	0.2526	0.2526
Leishmania major	aldo-keto reductase-like protein	0.0733	0.9085	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0092	0.0092
Giardia lamblia	Aldose reductase	0.0733	0.9085	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0025	0.0166	0.0166
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0733	0.9085	0.9085
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0733	0.9085	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0025	0.0166	0.0166
Brugia malayi	TAR-binding protein	0.0076	0.0815	0.0897
Schistosoma mansoni	thyroid hormone receptor	0.0025	0.0166	0.0183
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0212	0.2526	0.2781
Plasmodium vivax	aldehyde reductase, putative	0.0212	0.2526	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0166	0.0183
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0733	0.9085	1
Echinococcus multilocularis	FTZ F1 alpha	0.0025	0.0166	0.0166
Brugia malayi	nuclear receptor NHR-88	0.0025	0.0166	0.0183
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0025	0.0166	0.0183
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0733	0.9085	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0025	0.0166	0.0183
Onchocerca volvulus		0.0025	0.0166	0.0183
Echinococcus granulosus	voltage gated potassium channel subunit	0.0212	0.2526	0.2781
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0092	0.0101
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0733	0.9085	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0025	0.0166	0.0166
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0025	0.0166	0.0183
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0815	0.0897
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0092	0.0092
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0733	0.9085	0.9085
Brugia malayi	NADH-dependent xylose reductase	0.0212	0.2526	0.2781
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0092	0.0101
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0025	0.0166	0.0183
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0733	0.9085	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0733	0.9085	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.002
Brugia malayi	Steroid receptor seven-up type 2	0.0025	0.0166	0.0183
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0092	0.0092
Schistosoma mansoni	aldo-keto reductase	0.0733	0.9085	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0025	0.0166	0.0183
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0733	0.9085	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0733	0.9085	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.037	0.0407
Onchocerca volvulus		0.0733	0.9085	1
Loa Loa (eye worm)	oxidoreductase	0.0733	0.9085	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0025	0.0166	0.0183
Brugia malayi	Muscleblind-like protein	0.015	0.1736	0.1911
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0815	0.0897
Brugia malayi	nuclear hormone receptor	0.0025	0.0166	0.0183
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0025	0.0166	0.0183
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0733	0.9085	0.9085
Mycobacterium tuberculosis	Probable oxidoreductase	0.0733	0.9085	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0025	0.0166	0.0183
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0429	0.0472
Onchocerca volvulus		0.0733	0.9085	1
Schistosoma mansoni	aldo-keto reductase	0.0733	0.9085	1
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0212	0.2526	0.2707
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0092	0.0101
Schistosoma mansoni	hypothetical protein	0.0019	0.0092	0.0101
Brugia malayi	RNA binding protein	0.0076	0.0815	0.0897
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0429	0.0472
Plasmodium falciparum	aldehyde reductase, putative	0.0212	0.2526	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.061	0.0671
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0815	0.0897
Onchocerca volvulus		0.0733	0.9085	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0025	0.0166	0.0183
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0733	0.9085	0.9085
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0025	0.0166	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.002
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0025	0.0166	0.0183
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0025	0.0166	0.0183
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0013	0.0018	0.002
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0025	0.0166	0.0183
Echinococcus multilocularis	muscleblind protein	0.015	0.1736	0.1736
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0815	0.0897
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Onchocerca volvulus		0.0733	0.9085	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0733	0.9085	1
Echinococcus multilocularis	aldo keto reductase	0.0733	0.9085	0.9085
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0733	0.9085	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0733	0.9085	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0025	0.0166	0.0183
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0092	0.0092
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0815	0.0897
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0025	0.0166	0.0183
Mycobacterium ulcerans	oxidoreductase	0.0733	0.9085	1
Onchocerca volvulus		0.0212	0.2526	0.2781
Echinococcus granulosus	aldo keto reductase	0.0733	0.9085	1
Echinococcus multilocularis	aldo keto reductase	0.0733	0.9085	0.9085
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.061	0.0671
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Echinococcus multilocularis	aldo keto reductase	0.0733	0.9085	0.9085
Trichomonas vaginalis	aldo/keto reductase, putative	0.0733	0.9085	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0733	0.9085	0.9085
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0092	0.0101
Giardia lamblia	Aldose reductase	0.0733	0.9085	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.0521	0.641	0.5922
Echinococcus multilocularis	aldehyde reductase	0.0521	0.641	0.641
Trichomonas vaginalis	aldo-keto reductase, putative	0.0733	0.9085	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0025	0.0166	0.0183
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0092	0.0101
Trypanosoma brucei	aldo/keto reductase, putative	0.0212	0.2526	0.2707
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0815	0.0897
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0733	0.9085	1
Brugia malayi	hypothetical protein	0.0013	0.0018	0.002
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0815	0.0897
Schistosoma mansoni	hypothetical protein	0.0019	0.0092	0.0101
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0025	0.0166	0.0166
Loa Loa (eye worm)	oxidoreductase	0.0733	0.9085	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0025	0.0166	0.0183
Echinococcus granulosus	GPCR family 2	0.0019	0.0092	0.0101
Echinococcus granulosus	aldehyde reductase	0.0521	0.641	0.7056
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0025	0.0166	0.0183
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0025	0.0166	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0018	0.002

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.5481 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.3225 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1893663

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1571446