TDR Targets

Basic information

Technical information

TDR Targets ID: 1419126
Name: 2-(2-chlorophenoxy)-N-(2-methylquinolin-8-yl) acetamide
MW: 326.777 | Formula: C18H15ClN2O2
H donors: 1 H acceptors: 2 LogP: 4.09 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cccc2c1nc(C)cc2)COc1ccccc1Cl
InChi: 1S/C18H15ClN2O2/c1-12-9-10-13-5-4-7-15(18(13)20-12)21-17(22)11-23-16-8-3-2-6-14(16)19/h2-10H,11H2,1H3,(H,21,22)
InChiKey: OGEALEWTEAIZEN-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

2-(2-chlorophenoxy)-N-(2-methyl-8-quinolyl)acetamide
2-(2-chlorophenoxy)-N-(2-methylquinolin-8-yl)ethanamide
NCGC00164792-01
STK236758

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	thyroid hormone receptor, beta	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	thyroid hormone receptor alpha	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	expressed protein	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Loa Loa (eye worm)	transcription factor SMAD2	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
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_134830	All targets in OG5_134830
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	Get druggable targets OG5_134830	All targets in OG5_134830

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 %
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, beta	461 aa	414 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0019	0.0044	0.008
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0027	0.0027
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0164	0.216	0.3903
Brugia malayi	DIX domain containing protein	0.0019	0.0044	0.0044
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0	0.5
Schistosoma mansoni	hypothetical protein	0.0222	0.3007	0.4446
Echinococcus granulosus	segment polarity protein dishevelled	0.0019	0.0044	0.008
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0044	0.0044
Brugia malayi	MH2 domain containing protein	0.0018	0.0027	0.0027
Schistosoma mansoni	z-protein (S1r protein)	0.0019	0.0044	0.0066
Onchocerca volvulus		0.0019	0.0044	0.0032
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0703	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0396	0.5534	0.8182
Brugia malayi	Smad1	0.004	0.0346	0.0346
Loa Loa (eye worm)	glutaminase	0.0268	0.3676	0.3676
Echinococcus multilocularis	GPCR, family 2	0.0222	0.3007	0.5434
Schistosoma mansoni	smad1 5 8 and	0.004	0.0346	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0481	0.6763	0.6763
Loa Loa (eye worm)	DIX domain-containing protein	0.0019	0.0044	0.0044
Loa Loa (eye worm)	glutaminase 2	0.0268	0.3676	0.3676
Brugia malayi	MH1 domain containing protein	0.004	0.0346	0.0346
Schistosoma mansoni	Smad4	0.0018	0.0027	0.004
Loa Loa (eye worm)	nuclear factor I	0.0022	0.0088	0.0088
Brugia malayi	glutaminase DH11.1	0.0268	0.3676	0.3676
Echinococcus multilocularis	segment polarity protein dishevelled	0.0019	0.0044	0.008
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0222	0.3007	0.5434
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0018	0.0027	0.0049
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0402	0.0595
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0019	0.0044	0.008
Entamoeba histolytica	hypothetical protein	0.0043	0.0402	0.5
Schistosoma mansoni	hypothetical protein	0.0222	0.3007	0.4446
Echinococcus granulosus	segment polarity protein dishevelled	0.0019	0.0044	0.008
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0044	0.008
Echinococcus granulosus	tar DNA binding protein	0.0396	0.5534	1
Schistosoma mansoni	hypothetical protein	0.0481	0.6763	1
Echinococcus granulosus	mothers against decapentaplegic 2	0.0018	0.0027	0.0049
Brugia malayi	MH1 domain containing protein	0.004	0.0346	0.0346
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0222	0.3007	0.5434
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0222	0.3007	0.5434
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0019	0.0044	0.0044
Trichomonas vaginalis	glutaminase, putative	0.0268	0.3676	0.5
Loa Loa (eye worm)	hypothetical protein	0.0222	0.3007	0.3007
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0	0.5
Echinococcus multilocularis	Smad4	0.004	0.0346	0.0625
Loa Loa (eye worm)	MH1 domain-containing protein	0.004	0.0346	0.0346
Loa Loa (eye worm)	RNA binding protein	0.0396	0.5534	0.5534
Brugia malayi	MH2 domain containing protein	0.004	0.0346	0.0346
Entamoeba histolytica	hypothetical protein	0.0043	0.0402	0.5
Toxoplasma gondii	hypothetical protein	0.0019	0.0044	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0044	0.0044
Schistosoma mansoni	Smad4	0.004	0.0346	0.0511
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0	0.5
Echinococcus granulosus	TGF beta signal transducer SmadC	0.004	0.0346	0.0625
Loa Loa (eye worm)	MH1 domain-containing protein	0.0018	0.0027	0.0027
Entamoeba histolytica	hypothetical protein	0.0043	0.0402	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0088	0.0088
Echinococcus multilocularis	segment polarity protein dishevelled	0.0019	0.0044	0.008
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.004	0.0346	0.0511
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.004	0.0346	0.0625
Schistosoma mansoni	glutaminase	0.0268	0.3676	0.5436
Brugia malayi	MH2 domain containing protein	0.0581	0.822	0.822
Schistosoma mansoni	hypothetical protein	0.0222	0.3007	0.4446
Schistosoma mansoni	tar DNA-binding protein	0.0396	0.5534	0.8182
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0222	0.3007	0.3007
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0019	0.0044	0.0044
Entamoeba histolytica	hypothetical protein	0.0043	0.0402	0.5
Schistosoma mansoni	dishevelled	0.0019	0.0044	0.0066
Brugia malayi	regulator of G-protein signaling egl-10	0.0019	0.0044	0.0044
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.216	0.3194
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0222	0.3007	0.5434
Loa Loa (eye worm)	transcription factor SMAD2	0.0581	0.822	0.822
Brugia malayi	hypothetical protein	0.0043	0.0402	0.0402
Loa Loa (eye worm)	MH2 domain-containing protein	0.004	0.0346	0.0346
Echinococcus granulosus	smad	0.004	0.0346	0.0625
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0044	0.008
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0222	0.3007	0.3007
Echinococcus multilocularis	mothers against decapentaplegic 5	0.004	0.0346	0.0625
Brugia malayi	RNA binding protein	0.0396	0.5534	0.5534
Loa Loa (eye worm)	TAR-binding protein	0.0396	0.5534	0.5534
Schistosoma mansoni	hypothetical protein	0.0043	0.0402	0.0595
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0044	0.008
Schistosoma mansoni	dep domain containing protein	0.0019	0.0044	0.0066
Brugia malayi	MH2 domain containing protein	0.004	0.0346	0.0346
Schistosoma mansoni	smad	0.0018	0.0027	0.004
Mycobacterium ulcerans	glutaminase	0.0268	0.3676	0.5
Echinococcus multilocularis	smad	0.004	0.0346	0.0625
Brugia malayi	latrophilin 2 splice variant baaae	0.0481	0.6763	0.6763
Schistosoma mansoni	smad	0.004	0.0346	0.0511
Schistosoma mansoni	tar DNA-binding protein	0.0396	0.5534	0.8182
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0	0.5
Brugia malayi	TAR-binding protein	0.0396	0.5534	0.5534
Brugia malayi	MH1 domain containing protein	0.0022	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0383	0.5349	0.5349
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0019	0.0044	0.0044
Brugia malayi	MH1 domain containing protein	0.0022	0.0088	0.0088
Schistosoma mansoni	smad1 5 8 and	0.004	0.0346	0.0511
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0044	0.0066
Schistosoma mansoni	hypothetical protein	0.0152	0.1982	0.2931
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0019	0.0044	0.0032
Brugia malayi	Latrophilin receptor protein 2	0.0222	0.3007	0.3007
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.216	0.3194
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0396	0.5534	0.5534
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0019	0.0044	0.0066
Brugia malayi	mothers against decapentaplegic homolog 3	0.0018	0.0027	0.0027
Brugia malayi	hypothetical protein	0.0019	0.0044	0.0044
Echinococcus multilocularis	tar DNA binding protein	0.0396	0.5534	1
Brugia malayi	RNA recognition motif domain containing protein	0.0396	0.5534	0.5534
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0018	0.0027	0.0049
Brugia malayi	N-terminal motif family protein	0.0383	0.5349	0.5349
Loa Loa (eye worm)	hypothetical protein	0.0703	1	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0383	0.5349	1
Echinococcus granulosus	mothers against decapentaplegic 6	0.0018	0.0027	0.0049
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.1982	0.3582
Schistosoma mansoni	Smad4	0.0018	0.0027	0.004
Echinococcus granulosus	Smad4	0.004	0.0346	0.0625
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0402	0.0727
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0	0.5
Loa Loa (eye worm)	Smad1	0.004	0.0346	0.0346
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0044	0.008
Echinococcus granulosus	GPCR family 2	0.0222	0.3007	0.5434
Schistosoma mansoni	dishevelled	0.0019	0.0044	0.0066
Schistosoma mansoni	tar DNA-binding protein	0.0396	0.5534	0.8182
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.1982	0.3582
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0	0.5
Echinococcus granulosus	mothers against decapentaplegic 5	0.004	0.0346	0.0625
Schistosoma mansoni	smad1 5 8 and	0.004	0.0346	0.0511
Loa Loa (eye worm)	MH2 domain-containing protein	0.0581	0.822	0.822
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0402	0.0727
Brugia malayi	hypothetical protein	0.0019	0.0044	0.0044
Loa Loa (eye worm)	MH2 domain-containing protein	0.0018	0.0027	0.0027
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0703	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0396	0.5534	0.8182
Schistosoma mansoni	hypothetical protein	0.0222	0.3007	0.4446

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.3109 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)	6.3096 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)	= 15.8489 um	PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 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 (binding)	= 25.1189 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)	35.4813 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	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: CHEMBL1571699

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1419126