TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 355.185 | Formula: C17H11BrN2O2
H donors: 0 H acceptors: 2 LogP: 4.99 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1cc(/C=N/c2ccc3c(c2)cccc3)ccc1Br
InChi: 1S/C17H11BrN2O2/c18-16-8-5-12(9-17(16)20(21)22)11-19-15-7-6-13-3-1-2-4-14(13)10-15/h1-11H/b19-11+
InChiKey: RJDUYHJBVARSFX-YBFXNURJSA-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	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	PAN domain containing protein	0.0156	0.0841	0.0966
Schistosoma mansoni	hypothetical protein	0.0738	0.8713	0.8607
Schistosoma mansoni	cercarial elastase (S01 family)	0.016	0.0893	0.014
Schistosoma mansoni	cercarial elastase (S01 family)	0.016	0.0893	0.014
Loa Loa (eye worm)	hypothetical protein	0.0213	0.1605	0.1843
Toxoplasma gondii	kringle domain-containing protein	0.0738	0.8713	1
Onchocerca volvulus		0.0342	0.3358	0.3853
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.016	0.0893	0.014
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.016	0.0893	0.1025
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.2599	0.5
Onchocerca volvulus		0.016	0.0893	0.1025
Schistosoma mansoni	cercarial elastase (S01 family)	0.016	0.0893	0.014
Echinococcus multilocularis	enteropeptidase	0.016	0.0893	0.014
Brugia malayi	Trypsin family protein	0.016	0.0893	0.1025
Onchocerca volvulus		0.016	0.0893	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0342	0.3358	0.3853
Onchocerca volvulus		0.0156	0.0841	0.0966
Loa Loa (eye worm)	PAN domain-containing protein	0.0156	0.0841	0.0966
Brugia malayi	PAN domain containing protein	0.0156	0.0841	0.0966
Schistosoma mansoni	cercarial elastase (S01 family)	0.016	0.0893	0.014
Loa Loa (eye worm)	hypothetical protein	0.0377	0.3828	0.4394
Loa Loa (eye worm)	TK/ROR protein kinase	0.0738	0.8713	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.213	0.2444
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.016	0.0893	0.014
Onchocerca volvulus		0.0156	0.0841	0.0966
Onchocerca volvulus		0.0156	0.0841	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0841	0.0966
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.016	0.0893	0.014
Loa Loa (eye worm)	DOMON domain-containing protein	0.0342	0.3358	0.3853
Onchocerca volvulus		0.016	0.0893	0.1025
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0281	0.2533	0.1917
Onchocerca volvulus		0.0156	0.0841	0.0966
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.016	0.0893	0.014
Onchocerca volvulus		0.0156	0.0841	0.0966
Onchocerca volvulus	Arrow homolog	0.0154	0.0807	0.0926
Brugia malayi	CUB domain containing protein	0.0121	0.0372	0.0427
Onchocerca volvulus		0.016	0.0893	0.1025
Onchocerca volvulus		0.016	0.0893	0.1025
Loa Loa (eye worm)	hypothetical protein	0.016	0.0893	0.1025
Schistosoma mansoni	cercarial elastase (S01 family)	0.016	0.0893	0.014
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0219	0.1691	0.1005
Onchocerca volvulus		0.0738	0.8713	1
Schistosoma mansoni	hypothetical protein	0.016	0.0893	0.014
Onchocerca volvulus		0.0156	0.0841	0.0966
Brugia malayi	hypothetical protein	0.016	0.0893	0.1025
Loa Loa (eye worm)	hypothetical protein	0.015	0.0763	0.0876
Brugia malayi	Pre-SET motif family protein	0.0251	0.213	0.2444
Loa Loa (eye worm)	hypothetical protein	0.016	0.0893	0.1025
Onchocerca volvulus		0.0156	0.0841	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0841	0.0966
Brugia malayi	PAN domain containing protein	0.0156	0.0841	0.0966
Brugia malayi	Muscle positioning protein 4	0.0377	0.3828	0.4394
Echinococcus granulosus	tissue type plasminogen activator	0.0738	0.8713	0.8607
Schistosoma mansoni	cercarial elastase (S01 family)	0.016	0.0893	0.014
Loa Loa (eye worm)	hypothetical protein	0.016	0.0893	0.1025
Brugia malayi	PAN domain containing protein	0.0156	0.0841	0.0966
Onchocerca volvulus		0.0156	0.0841	0.0966
Echinococcus multilocularis	glycoprotein Antigen 5	0.016	0.0893	0.014
Trypanosoma cruzi	hypothetical protein, conserved	0.0738	0.8713	0.5
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0841	0.0966
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.016	0.0893	0.014
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.016	0.0893	0.014
Loa Loa (eye worm)	trypsin family protein	0.016	0.0893	0.1025
Brugia malayi	PAN domain containing protein	0.0156	0.0841	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0841	0.0966
Onchocerca volvulus		0.0156	0.0841	0.0966
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0154	0.0807	0.0926
Echinococcus multilocularis	Mastin	0.016	0.0893	0.014
Onchocerca volvulus		0.0342	0.3358	0.3853
Leishmania major	hypothetical protein, conserved	0.0738	0.8713	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.016	0.0893	0.014
Echinococcus granulosus	glycoprotein Antigen 5	0.016	0.0893	0.014
Brugia malayi	Trypsin family protein	0.016	0.0893	0.1025
Brugia malayi	PAN domain containing protein	0.0156	0.0841	0.0966
Brugia malayi	Kringle domain containing protein	0.0738	0.8713	1
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.016	0.0893	0.014
Onchocerca volvulus		0.0342	0.3358	0.3853
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0372	0.0427
Echinococcus multilocularis	transmembrane protease serine 3	0.016	0.0893	0.014
Loa Loa (eye worm)	hypothetical protein	0.016	0.0893	0.1025
Brugia malayi	PAN domain containing protein	0.0156	0.0841	0.0966
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.016	0.0893	0.014
Echinococcus multilocularis	tissue type plasminogen activator	0.0738	0.8713	0.8607
Brugia malayi	Trypsin family protein	0.016	0.0893	0.1025
Brugia malayi	PAN domain containing protein	0.0156	0.0841	0.0966
Brugia malayi	Trypsin-like protease protein 5	0.016	0.0893	0.1025
Echinococcus granulosus	Mastin	0.016	0.0893	0.014
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Brugia malayi	Trypsin family protein	0.016	0.0893	0.1025
Echinococcus granulosus	transmembrane protease serine 3	0.016	0.0893	0.014
Mycobacterium ulcerans	hypothetical protein	0.016	0.0893	0.5
Loa Loa (eye worm)	hypothetical protein	0.016	0.0893	0.1025
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0738	0.8713	0.5
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.016	0.0893	0.014
Plasmodium falciparum	cysteine repeat modular protein 1	0.0738	0.8713	0.5
Loa Loa (eye worm)	hypothetical protein	0.0154	0.0807	0.0926
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.015	0.0763	0.0876
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.016	0.0893	0.014
Loa Loa (eye worm)	PAN domain-containing protein	0.0156	0.0841	0.0966
Loa Loa (eye worm)	hypothetical protein	0.016	0.0893	0.1025
Onchocerca volvulus		0.0286	0.2599	0.2983
Schistosoma mansoni	cercarial elastase (S01 family)	0.016	0.0893	0.014
Schistosoma mansoni	cercarial elastase (S01 family)	0.016	0.0893	0.014
Brugia malayi	PAN domain containing protein	0.0156	0.0841	0.0966
Onchocerca volvulus		0.0156	0.0841	0.0966
Loa Loa (eye worm)	PAN domain-containing protein	0.0156	0.0841	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0738	0.8713	1
Echinococcus granulosus	enteropeptidase	0.016	0.0893	0.014
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0154	0.0807	0.0926
Onchocerca volvulus		0.0156	0.0841	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0841	0.0966
Onchocerca volvulus		0.0342	0.3358	0.3853
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0841	0.0966
Onchocerca volvulus		0.016	0.0893	0.1025
Schistosoma mansoni	cercarial elastase (S01 family)	0.016	0.0893	0.014
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0841	0.0966
Brugia malayi	SEA domain containing protein	0.0342	0.3358	0.3853
Brugia malayi	Protein kinase domain containing protein	0.0738	0.8713	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.016	0.0893	0.014
Schistosoma mansoni	hypothetical protein	0.016	0.0893	0.014
Loa Loa (eye worm)	hypothetical protein	0.016	0.0893	0.1025
Loa Loa (eye worm)	PAN domain-containing protein	0.0156	0.0841	0.0966
Onchocerca volvulus		0.0377	0.3828	0.4394
Brugia malayi	PAN domain containing protein	0.0156	0.0841	0.0966
Loa Loa (eye worm)	PAN domain-containing protein	0.0156	0.0841	0.0966
Schistosoma mansoni	hypothetical protein	0.0342	0.3358	0.2809

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0029 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	0.4147 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	21.3313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	50.1187 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)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1997112

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1630548