TDR Targets

Basic information

Technical information

TDR Targets ID: 1539752
Name: 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-ethyla mino]-N-[(4-fluorophenyl)methyl]acetamide
MW: 380.816 | Formula: C19H19ClF2N2O2
H donors: 1 H acceptors: 2 LogP: 3.35 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)Cc1c(F)cccc1Cl)CC(=O)NCc1ccc(cc1)F
InChi: 1S/C19H19ClF2N2O2/c1-2-24(19(26)10-15-16(20)4-3-5-17(15)22)12-18(25)23-11-13-6-8-14(21)9-7-13/h3-9H,2,10-12H2,1H3,(H,23,25)
InChiKey: BVDFHHUPUHEVPS-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-(2-chloro-6-fluoro-phenyl)acetyl]-ethyl-amino]-N-[(4-fluorophenyl)methyl]acetamide
2-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]-ethyl-amino]-N-(4-fluorobenzyl)acetamide
2-[2-(2-chloro-6-fluoro-phenyl)ethanoyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide
T5315610

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Echinococcus multilocularis	tar DNA binding protein	0.0259	0.4845	0.4845
Schistosoma mansoni	dishevelled	0.0018	0.0052	0.0052
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0022	0.0137	0.0137
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0022	0.0137	0.0137
Brugia malayi	guanine nucleotide-binding protein alpha-7 subunit, putative	0.0022	0.0137	0.0137
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.0022	0.0137	0.0137
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0518	1	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0	0.5
Brugia malayi	guanine nucleotide-binding protein G(o), alpha subunit, putative	0.0022	0.0137	0.0137
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0022	0.0137	0.0137
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0052	0.0052
Echinococcus granulosus	Smad4	0.0018	0.0044	0.0044
Echinococcus granulosus	tar DNA binding protein	0.0259	0.4845	0.4845
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.0022	0.0137	0.0137
Toxoplasma gondii	hypothetical protein	0.0018	0.0052	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.168	0.168
Brugia malayi	MH2 domain containing protein	0.0258	0.4826	0.4826
Schistosoma mansoni	tar DNA-binding protein	0.0259	0.4845	0.4845
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0018	0.0044	0.0044
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0323	0.0323
Loa Loa (eye worm)	MH1 domain-containing protein	0.0018	0.0044	0.0044
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0022	0.0137	0.0137
Entamoeba histolytica	G protein alpha subunit, putative	0.0022	0.0137	0.5
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0015	0	0.5
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0044	0.0044
Schistosoma mansoni	tar DNA-binding protein	0.0259	0.4845	0.4845
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0365	0.6959	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0323	0.0323
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0022	0.0137	0.0137
Schistosoma mansoni	tar DNA-binding protein	0.0259	0.4845	0.4845
Brugia malayi	MH2 domain containing protein	0.0018	0.0044	0.0044
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0052	0.0052
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0022	0.0137	0.5
Loa Loa (eye worm)	DIX domain-containing protein	0.0018	0.0052	0.0052
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0518	1	1
Echinococcus multilocularis	smad	0.0018	0.0044	0.0044
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0022	0.0137	0.0137
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0022	0.0137	0.0137
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.0022	0.0137	0.0137
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0018	0.0044	0.0044
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0518	1	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0018	0.0044	0.0044
Brugia malayi	MH2 domain containing protein	0.0018	0.0044	0.0044
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.0022	0.0137	0.0137
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0323	0.0323
Trichomonas vaginalis	GTP-binding protein (z) alpha subunit, gnaz, putative	0.0022	0.0137	0.5
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0052	0.0052
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0044	0.0044
Brugia malayi	GTP-binding regulatory protein alpha chain - starfish, putative	0.0022	0.0137	0.0137
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.168	0.168
Loa Loa (eye worm)	MH2 domain-containing protein	0.0018	0.0044	0.0044
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0052	0.0052
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0518	1	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0052	0.0052
Brugia malayi	hypothetical protein	0.0018	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0323	0.0323
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0022	0.0137	0.0137
Echinococcus granulosus	gtp binding protein I alpha 1subunit	0.0022	0.0137	0.0137
Loa Loa (eye worm)	RNA binding protein	0.0259	0.4845	0.4845
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0323	0.0323
Loa Loa (eye worm)	G protein alpha subunit 3	0.0022	0.0137	0.0137
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1052	0.1052
Brugia malayi	regulator of G-protein signaling egl-10	0.0018	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0137	0.0137
Brugia malayi	Guanine nucleotide-binding protein alpha-12 subunit, putative	0.0022	0.0137	0.0137
Loa Loa (eye worm)	GTP-binding regulatory protein alpha chain	0.0022	0.0137	0.0137
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0259	0.4845	0.4845
Loa Loa (eye worm)	hypothetical protein	0.0365	0.6959	0.6959
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0259	0.4845	0.4845
Onchocerca volvulus		0.0022	0.0137	0.0123
Echinococcus multilocularis	expressed protein	0.0022	0.0137	0.0137
Echinococcus granulosus	mothers against decapentaplegic 5	0.0018	0.0044	0.0044
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0018	0.0052	0.0052
Brugia malayi	hypothetical protein	0.0018	0.0052	0.0052
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.0022	0.0137	0.0137
Trichomonas vaginalis	G protein (olf) alpha subunit, gnal, putative	0.0022	0.0137	0.5
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0052	0.0052
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0518	1	1
Onchocerca volvulus		0.0022	0.0137	0.0123
Schistosoma mansoni	hypothetical protein	0.0032	0.0323	0.0323
Schistosoma mansoni	smad	0.0018	0.0044	0.0044
Onchocerca volvulus		0.0022	0.0137	0.0123
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.168	0.168
Loa Loa (eye worm)	transcription factor SMAD2	0.0258	0.4826	0.4826
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-6 subunit	0.0022	0.0137	0.0137
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0018	0.0052	0.0052
Schistosoma mansoni	GTP-binding protein (I) alpha subunit gnai	0.0022	0.0137	0.0137
Trichomonas vaginalis	GTP-binding protein (O) alpha subunit, gnao, putative	0.0022	0.0137	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0258	0.4826	0.4826
Schistosoma mansoni	z-protein (S1r protein)	0.0018	0.0052	0.0052
Schistosoma mansoni	trimeric G-protein alpha o subunit	0.0022	0.0137	0.0137
Trichomonas vaginalis	GTP-binding protein (q) alpha-11 subunit, gna11, putative	0.0022	0.0137	0.5
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0022	0.0137	0.5
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0022	0.0137	0.0137
Schistosoma mansoni	tar DNA-binding protein	0.0259	0.4845	0.4845
Brugia malayi	TAR-binding protein	0.0259	0.4845	0.4845
Echinococcus multilocularis	Smad4	0.0018	0.0044	0.0044
Loa Loa (eye worm)	Smad1	0.0018	0.0044	0.0044
Schistosoma mansoni	hypothetical protein	0.0068	0.1052	0.1052
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0	0.5
Echinococcus granulosus	smad	0.0018	0.0044	0.0044
Brugia malayi	MH1 domain containing protein	0.0018	0.0044	0.0044
Brugia malayi	Guanine nucleotide-binding protein alpha-6 subunit, putative	0.0022	0.0137	0.0137
Schistosoma mansoni	regulator of G protein signaling	0.0018	0.0052	0.0052
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0323	0.0323
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0052	0.0052
Brugia malayi	guanine nucleotide-binding protein G-o protein alpha subunit	0.0022	0.0137	0.0137
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0323	0.0323
Schistosoma mansoni	hypothetical protein	0.0032	0.0323	0.0323
Brugia malayi	Smad1	0.0018	0.0044	0.0044
Schistosoma mansoni	dep domain containing protein	0.0018	0.0052	0.0052
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0518	1	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0	0.5
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0022	0.0137	0.0137
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0018	0.0044	0.0044
Echinococcus granulosus	expressed protein	0.0022	0.0137	0.0137
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0052	0.0052
Brugia malayi	RNA recognition motif domain containing protein	0.0259	0.4845	0.4845
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0022	0.0137	0.0137
Loa Loa (eye worm)	heterotrimeric G protein alpha subunit	0.0022	0.0137	0.0137
Brugia malayi	guanine nucleotide-binding protein alpha-3 subunit, putative	0.0022	0.0137	0.0137
Schistosoma mansoni	Smad4	0.0018	0.0044	0.0044
Brugia malayi	DIX domain containing protein	0.0018	0.0052	0.0052
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.168	0.168
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.0022	0.0137	0.0137
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0323	0.0323
Schistosoma mansoni	hypothetical protein	0.0032	0.0323	0.0323
Brugia malayi	MH1 domain containing protein	0.0018	0.0044	0.0044
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0022	0.0137	0.0137
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0052	0.0052
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0022	0.0137	0.0137
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.0022	0.0137	0.0137
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0022	0.0137	0.5
Brugia malayi	G-protein alpha subunit	0.0022	0.0137	0.0137
Schistosoma mansoni	tar DNA-binding protein	0.0259	0.4845	0.4845
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0052	0.0052
Echinococcus multilocularis	gtp binding protein (I) alpha 1subunit	0.0022	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0137	0.0137
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0018	0.0052	0.0052
Brugia malayi	hypothetical protein	0.0022	0.0137	0.0137
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0018	0.0052	0.0052
Brugia malayi	N-terminal motif family protein	0.0365	0.6959	0.6959
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0323	0.0323
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0137	0.0137
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0323	0.0323
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.0022	0.0137	0.0137
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0518	1	1
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0044	0.0044
Schistosoma mansoni	dishevelled	0.0018	0.0052	0.0052
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0518	1	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0137	0.0137
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0022	0.0137	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.1052	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0137	0.0137
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0052	0.0052
Brugia malayi	RNA binding protein	0.0259	0.4845	0.4845
Echinococcus granulosus	GPCR family 2	0.0032	0.0323	0.0323
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-12 subunit	0.0022	0.0137	0.0137

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	13.1154 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)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 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)	28.1838 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1885507

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 1539752