TDR Targets

Basic information

Technical information

TDR Targets ID: 822067
Name: 5-acetamido-2,4-dichlorobenzamide
MW: 247.078 | Formula: C9H8Cl2N2O2
H donors: 2 H acceptors: 2 LogP: 1.23 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1cc(C(=O)N)c(cc1Cl)Cl
InChi: 1S/C9H8Cl2N2O2/c1-4(14)13-8-2-5(9(12)15)6(10)3-7(8)11/h2-3H,1H3,(H2,12,15)(H,13,14)
InChiKey: WVGYUADFCVQBKJ-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

5-acetamido-2,4-dichloro-benzamide
ZINC00208260
Oprea1_681744
BIM-0016647.P001
MLS000105647
SMR000102625
CBMicro_016681

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0089	0.3146	0.2544
Loa Loa (eye worm)	hypothetical protein	0.019	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.01	0.388	0.388
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0807	0.0807
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.019	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.01	0.388	0.388
Brugia malayi	nuclear receptor NHR-67	0.0089	0.3146	0.3146
Schistosoma mansoni	RAR-like nuclear receptor	0.019	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.019	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0807	0.0807
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.019	1	1
Brugia malayi	hypothetical protein	0.01	0.388	0.388
Brugia malayi	nuclear hormone receptor	0.0089	0.3146	0.3146
Loa Loa (eye worm)	hypothetical protein	0.019	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.019	1	1
Schistosoma mansoni	nuclear hormone receptor	0.019	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0089	0.3146	0.3146
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Loa Loa (eye worm)	hypothetical protein	0.019	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.019	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0089	0.3146	0.3146
Schistosoma mansoni	coup transcription factor	0.019	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0807	0.0807
Loa Loa (eye worm)	DR-78	0.0089	0.3146	0.2544
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0807	0.0807
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Schistosoma mansoni	nuclear receptor	0.0089	0.3146	0.3146
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Schistosoma mansoni	nuclear receptor nhr-48	0.0089	0.3146	0.3146
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0089	0.3146	0.3146
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.019	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Brugia malayi	hypothetical protein	0.01	0.388	0.388
Brugia malayi	Nuclear hormone receptor-like 1	0.019	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.019	1	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0089	0.3146	0.3146
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0089	0.3146	0.2544
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0089	0.3146	0.3146
Brugia malayi	Nuclear hormone receptor E75	0.0089	0.3146	0.3146
Schistosoma mansoni	nuclear hormone receptor	0.0089	0.3146	0.3146
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.019	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.01	0.388	0.388
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.019	1	1
Brugia malayi	nuclear receptor NHR-88	0.019	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0089	0.3146	0.2544
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.019	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0089	0.3146	0.3146
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.019	1	1
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0807	0.0807
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.019	1	1
Schistosoma mansoni	thyroid hormone receptor	0.019	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.01	0.388	0.3343
Loa Loa (eye worm)	hypothetical protein	0.01	0.388	0.3343
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.019	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.388	0.3343
Loa Loa (eye worm)	hypothetical protein	0.01	0.388	0.3343
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.019	1	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0089	0.3146	0.3146
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0089	0.3146	0.3146
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.019	1	1
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.019	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.019	1	1
Brugia malayi	nuclear hormone receptor	0.019	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.019	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.019	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.019	1	1
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Brugia malayi	tailless protein	0.0089	0.3146	0.3146
Schistosoma mansoni	steroid hormone receptor ad4bp	0.019	1	1
Brugia malayi	steroid hormone receptor	0.019	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.019	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.019	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.019	1	1
Brugia malayi	hypothetical protein	0.0089	0.3146	0.3146
Echinococcus multilocularis	nuclear receptor nhr 48	0.0089	0.3146	0.3146
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.019	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0807	0.0807
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.01	0.388	0.388
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0807	0.0807
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0089	0.3146	0.3146
Brugia malayi	ecdysone receptor	0.0089	0.3146	0.3146
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.019	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0089	0.3146	0.3146
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0089	0.3146	0.3146
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0089	0.3146	0.3146
Brugia malayi	conserved hypotetical protein	0.0089	0.3146	0.3146
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.019	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.019	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.019	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.019	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Onchocerca volvulus	Protein ultraspiracle homolog	0.019	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0089	0.3146	0.3146
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.019	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0807	0.0807
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0089	0.3146	0.3146
Echinococcus granulosus	FTZ F1 alpha	0.019	1	1
Brugia malayi	hypothetical protein	0.0089	0.3146	0.3146
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.019	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0089	0.3146	0.3146
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.388	0.3343
Echinococcus multilocularis	FTZ F1 alpha	0.019	1	1
Brugia malayi	nuclear receptor RXR	0.0089	0.3146	0.3146
Brugia malayi	photoreceptor-specific nuclear receptor	0.019	1	1
Brugia malayi	nuclear receptor NHR-88	0.0089	0.3146	0.3146
Loa Loa (eye worm)	hypothetical protein	0.019	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.019	1	1
Schistosoma mansoni	zinc finger protein	0.0089	0.3146	0.3146
Brugia malayi	Nuclear hormone receptor-like 1	0.01	0.388	0.388
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Loa Loa (eye worm)	hypothetical protein	0.019	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.019	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.01	0.388	0.388
Schistosoma mansoni	thyroid hormone receptor	0.019	1	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3146	0.2544
Loa Loa (eye worm)	hypothetical protein	0.01	0.388	0.3343
Schistosoma mansoni	nuclear hormone receptor	0.0089	0.3146	0.3146
Brugia malayi	nuclear receptor RXR	0.01	0.388	0.388
Brugia malayi	nuclear hormone receptor family member odr-7	0.0089	0.3146	0.3146
Echinococcus granulosus	ecdysone induced protein 78C	0.019	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0089	0.3146	0.3146
Onchocerca volvulus		0.019	1	1
Schistosoma mansoni	nuclear receptor	0.0089	0.3146	0.3146
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.019	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.019	1	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0089	0.3146	0.3146
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.019	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.019	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.019	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 53 uM	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	> 47.1 uM	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.6513 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	39.8107 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1370968
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 822067