TDR Targets

Basic information

Technical information

TDR Targets ID: 611582
Name: 3-(1-benzofuran-2-carbonylamino)-N-(4-ethoxyp henyl)-1-benzofuran-2-carboxamide
MW: 440.447 | Formula: C26H20N2O5
H donors: 2 H acceptors: 2 LogP: 5.95 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)NC(=O)c1oc2c(c1NC(=O)c1cc3c(o1)cccc3)cccc2
InChi: 1S/C26H20N2O5/c1-2-31-18-13-11-17(12-14-18)27-26(30)24-23(19-8-4-6-10-21(19)33-24)28-25(29)22-15-16-7-3-5-9-20(16)32-22/h3-15H,2H2,1H3,(H,27,30)(H,28,29)
InChiKey: UHBQLDLTMFTYCL-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

3-(benzofuran-2-carbonylamino)-N-(4-ethoxyphenyl)benzofuran-2-carboxamide
3-[(2-benzofuranyl-oxomethyl)amino]-N-(4-ethoxyphenyl)-2-benzofurancarboxamide
3-(1-benzofuran-2-ylcarbonylamino)-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
NCGC00111644-01
C686-0931

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	MH2 domain containing protein	0.0144	0.2772	0.6041
Brugia malayi	Bromodomain containing protein	0.0154	0.2975	0.6482
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0006	0.0006
Loa Loa (eye worm)	bromodomain containing protein	0.0036	0.0546	0.0546
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0041	0.0648	1
Schistosoma mansoni	zinc finger protein	0.004	0.0627	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1604	0.1604
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0041	0.0648	0.0648
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0744	0.3196
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0006	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0648	0.0648
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0006	0.0027
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0006	0.0027
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.1023	0.0885
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0453	0.915	1
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0041	0.0648	0.2784
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0151	0.0151
Schistosoma mansoni	coup transcription factor	0.001	0.0006	0.0006
Echinococcus granulosus	zinc finger protein	0.004	0.0627	0.2694
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0271	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0271	0.0271
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0006	0.0014
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0006	0.0014
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0271	0.0591
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.2772	0.2772
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0494	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0006	0.0014
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0006	0.0006
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.1023	1
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0271	0.0271
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0744	0.3196
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase, putative	0.0041	0.0648	1
Leishmania major	hypothetical protein, conserved	0.0031	0.0445	0.2319
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1423	0.1423
Brugia malayi	Bromodomain containing protein	0.0079	0.142	0.3094
Trypanosoma cruzi	FAD dependent oxidoreductase, putative	0.0041	0.0648	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0744	0.0744
Loa Loa (eye worm)	hypothetical protein	0.0145	0.2793	0.2793
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0006	0.0006
Leishmania major	glycerol-3-phosphate dehydrogenase-like protein	0.0041	0.0648	0.501
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0006	0.0027
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.052	0.2234
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0006	0.0014
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0041	0.0648	0.0504
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0271	0.0122
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0041	0.0648	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0271	0.0122
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0006	0.0027
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.052	0.2234
Brugia malayi	RE18450p	0.0041	0.0648	0.1412
Trypanosoma brucei	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0041	0.0648	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0006	0.0014
Schistosoma mansoni	fad oxidoreductase	0.0041	0.0648	0.0648
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.2772	0.2772
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0006	0.0006
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0271	0.0122
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0006	0.0027
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0041	0.0648	0.0504
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0006	0.0014
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0006	0.0027
Loa Loa (eye worm)	hypothetical protein	0.001	0.0006	0.0006
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0041	0.0648	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0006	0.0006
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0006	0.0006
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0041	0.0648	1
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0041	0.0648	1
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.0041	0.0648	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0006	0.0006
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0006	0.0027
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0744	0.162
Brugia malayi	follicle stimulating hormone receptor	0.0232	0.4589	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0006	0.0027
Loa Loa (eye worm)	hypothetical protein	0.001	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.001	0.0006	0.0006
Mycobacterium leprae	Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase)	0.0041	0.0648	0.0387
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.001	0.0006	0.0006
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0006	0.0006
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.052	0.052
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0006	0.0006
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0006	0.0014
Schistosoma mansoni	hypothetical protein	0.0042	0.0671	0.0671
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0006	0.0014
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0041	0.0648	0.0504
Echinococcus granulosus	fetal alzheimer antigen falz	0.0046	0.0752	0.3234
Loa Loa (eye worm)	hypothetical protein	0.001	0.0006	0.0006
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0006	0.0027
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.1023	0.0885
Leishmania major	hypothetical protein, conserved	0.0041	0.0648	0.501
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0006	0.0006
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.052	0.052
Schistosoma mansoni	NAD dehydrogenase	0.0041	0.0648	0.0648
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.1023	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0151	0.0151
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0271	0.0122
Loa Loa (eye worm)	hypothetical protein	0.001	0.0006	0.0006
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0006	0.0027
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0041	0.0648	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.1023	0.4397
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0006	0.0006
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0006	0.0027
Schistosoma mansoni	fad oxidoreductase	0.0041	0.0648	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.001	0.0006	0.0006
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0271	0.0591
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0046	0.0752	0.3234
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0041	0.0648	0.2784
Loa Loa (eye worm)	PHD-finger family protein	0.0042	0.0671	0.0671
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0041	0.0648	0.2784
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0006	0.0014
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0271	0.0122
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0271	0.0122
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0006	0.0006
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0041	0.0648	1
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0041	0.0648	1
Trypanosoma brucei	FAD dependent oxidoreductase, putative	0.0041	0.0648	1
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0006	0.0006
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0035	0.052	0.2234
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0006	0.0014
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0744	0.3196
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0074	0.132	0.5672
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.1023	0.4397
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0041	0.0648	0.1412
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.1023	1
Mycobacterium leprae	Possible thiamine biosynthesis oxidoreductase ThiO	0.0041	0.0648	0.0387
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.1023	0.1023
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0271	0.0122
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0006	0.0006
Onchocerca volvulus		0.0011	0.0016	0.0155
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0271	0.0591
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0123	0.2326	1
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0041	0.0648	1
Leishmania major	hypothetical protein, conserved	0.0041	0.0648	0.501
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0006	0.0006
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0494	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.1023	0.1023
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0744	0.0744
Brugia malayi	nuclear receptor NHR-88	0.001	0.0006	0.0014
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0006	0.0014
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0123	0.2326	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.052	0.052
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0074	0.132	0.5672
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0041	0.0648	0.2784
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0041	0.0648	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0006	0.0006
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0006	0.0027
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0041	0.0648	0.5
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1523	0.1523
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0151	0.0151
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0006	0.0027
Trypanosoma brucei	electron transfer flavoprotein-ubiquinone oxidoreductase, putative	0.0041	0.0648	1
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0041	0.0648	0.0504
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0271	0.0154
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0035	0.052	0.052
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0232	0.4589	0.4589
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0041	0.0648	0.0572
Echinococcus multilocularis	zinc finger protein	0.004	0.0627	0.2694
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0035	0.052	0.2234
Schistosoma mansoni	d-amino acid oxidase	0.0494	1	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0445	0.0445
Schistosoma mansoni	bromodomain containing protein	0.013	0.2478	0.2478
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0046	0.0752	0.0752
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0006	0.0014
Onchocerca volvulus	Putative fad oxidoreductase	0.0041	0.0648	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0006	0.0006
Brugia malayi	nuclear hormone receptor	0.001	0.0006	0.0014
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0744	0.0744
Brugia malayi	steroid hormone receptor	0.001	0.0006	0.0014
Brugia malayi	PHD-finger family protein	0.0051	0.0853	0.1858
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0271	0.0154
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0041	0.0648	0.1412
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0151	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0648	0.0648
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0041	0.0648	0.0648
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 20	0.0041	0.0648	1
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial	0.0041	0.0648	1
Brugia malayi	ecdysteroid receptor	0.001	0.0006	0.0014
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0041	0.0648	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0006	0.0027
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0035	0.052	0.052
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0006	0.0014
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0744	0.3196
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0151	0.0151
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0006	0.0027
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0006	0.0014
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0006	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0648	0.0648
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0006	0.0014
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0744	0.0744
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0006	0.0027
Onchocerca volvulus		0.0023	0.0271	0.4127
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0006	0.0014
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0006	0.0006
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0041	0.0648	0.0648
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.1023	0.0988
Brugia malayi	cDNA sequence BC016226	0.0041	0.0648	0.1412
Schistosoma mansoni	zinc finger protein	0.0031	0.0445	0.0445

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.0119 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)	= 28.1838 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (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: CHEMBL1315409
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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Detailed information for compound 611582