TDR Targets

Basic information

Technical information

TDR Targets ID: 1432418
Name: 2-chloro-N-[3-[(3-methoxyphenyl)amino]-3-oxop ropyl]benzamide
MW: 332.781 | Formula: C17H17ClN2O3
H donors: 2 H acceptors: 2 LogP: 2.6 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)NC(=O)CCNC(=O)c1ccccc1Cl
InChi: 1S/C17H17ClN2O3/c1-23-13-6-4-5-12(11-13)20-16(21)9-10-19-17(22)14-7-2-3-8-15(14)18/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
InChiKey: MYHOZYKWSXBSKP-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-chloro-N-[3-[(3-methoxyphenyl)amino]-3-oxo-propyl]benzamide
2-chloro-N-[3-keto-3-[(3-methoxyphenyl)amino]propyl]benzamide
ZINC03366713
MLS000516830
SMR000342900
T5285550

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	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)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570

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
Trypanosoma brucei	Serine peptidase, Clan SC, Family S09X	0.0025	0.0133	0.0162
Toxoplasma gondii	hypothetical protein	0.0025	0.0133	0.5
Schistosoma mansoni	fatty-acid amide hydrolase	0.0062	0.088	0.088
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0062	0.088	0.5
Brugia malayi	Bromodomain containing protein	0.0091	0.1447	0.1332
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0043	0.0043
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0798	0.0798
Brugia malayi	Amidase family protein	0.0062	0.088	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0517	1	1
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0025	0.0133	0.0162
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0176	0.0134
Schistosoma mansoni	fatty-acid amide hydrolase	0.0517	1	1
Toxoplasma gondii	peptidase S15, putative	0.0025	0.0133	0.5
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0062	0.088	0.0841
Trypanosoma cruzi	monoglyceride lipase, putative	0.0425	0.8168	1
Schistosoma mansoni	amidase	0.0517	1	1
Mycobacterium ulcerans	amidase	0.0062	0.088	0.093
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0025	0.0133	0.5
Toxoplasma gondii	hypothetical protein	0.0025	0.0133	0.5
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0062	0.088	0.093
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0133	0.009
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0425	0.8168	1
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0025	0.0133	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1343	0.1306
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.4005	1
Mycobacterium ulcerans	amidase	0.0062	0.088	0.093
Toxoplasma gondii	phospholipase	0.0025	0.0133	0.5
Plasmodium falciparum	lysophospholipase, putative	0.0425	0.8168	1
Loa Loa (eye worm)	hypothetical protein	0.0286	0.536	0.5341
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0663	0.0623
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0062	0.088	0.093
Trichomonas vaginalis	conserved hypothetical protein	0.0425	0.8168	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0176	0.0176
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0517	1	1
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.536	0.5341
Mycobacterium ulcerans	lysophospholipase	0.0425	0.8168	1
Toxoplasma gondii	protein c14orf29, putative	0.0025	0.0133	0.5
Trypanosoma cruzi	serine peptidase, putative	0.0025	0.0133	0.0162
Echinococcus multilocularis	zinc finger protein	0.0024	0.0104	0.0061
Giardia lamblia	Cgi67 serine protease precursor-like protein	0.0025	0.0133	0.5
Brugia malayi	Bromodomain containing protein	0.0046	0.0557	0.0431
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0425	0.8168	1
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0025	0.0133	0.5
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0062	0.088	0.0841
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0062	0.088	0.5
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0025	0.0133	0.0162
Trichomonas vaginalis	conserved hypothetical protein	0.0425	0.8168	1
Trypanosoma brucei	monoglyceride lipase, putative	0.0425	0.8168	1
Plasmodium falciparum	esterase, putative	0.0425	0.8168	1
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0057	0.0015
Echinococcus multilocularis	Phospholipase carboxylesterase	0.0025	0.0133	0.009
Leishmania major	hypothetical protein, conserved	0.0062	0.088	0.1078
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0517	1	1
Brugia malayi	N-terminal motif family protein	0.0218	0.4005	0.3924
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0062	0.088	1
Mycobacterium ulcerans	peptide amidase, GatA	0.0062	0.088	0.093
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0559	0.0519
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.0025	0.0133	0.0162
Trypanosoma cruzi	amidase, putative	0.0062	0.088	0.1078
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0062	0.088	0.093
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0062	0.088	0.088
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0517	1	1
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0025	0.0133	0.0162
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0425	0.8168	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0176	0.0134
Loa Loa (eye worm)	amidase	0.0062	0.088	0.0841
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0425	0.8168	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0617	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0218	0.4005	0.3979
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0133	0.009
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.0025	0.0133	0.009
Mycobacterium ulcerans	amidase	0.0062	0.088	0.093
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0425	0.8168	1
Mycobacterium ulcerans	hypothetical protein	0.0425	0.8168	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0062	0.088	0.0841
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0062	0.088	0.093
Mycobacterium ulcerans	amidase	0.0062	0.088	0.093
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0062	0.088	0.093
Leishmania major	hypothetical protein, conserved	0.0025	0.0133	0.0162
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.05	0.0459
Mycobacterium tuberculosis	Possible lysophospholipase	0.0425	0.8168	1
Schistosoma mansoni	zinc finger protein	0.0024	0.0104	0.0104
Loa Loa (eye worm)	amidase	0.0062	0.088	0.0841
Schistosoma mansoni	peptidase	0.0025	0.0133	0.0133
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0025	0.0133	0.0162
Trypanosoma cruzi	Serine peptidase, Clan SC, Family S09X, putative	0.0025	0.0133	0.0162
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0062	0.088	0.093
Schistosoma mansoni	bromodomain containing protein	0.0076	0.1163	0.1163
Schistosoma mansoni	hypothetical protein	0.0058	0.0798	0.0798
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.1076	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0133	0.009
Plasmodium falciparum	lysophospholipase, putative	0.0425	0.8168	1
Echinococcus multilocularis	abhydrolase domain containing 3	0.0025	0.0133	0.009
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0425	0.8168	1
Toxoplasma gondii	hypothetical protein	0.0025	0.0133	0.5
Brugia malayi	putative amidase	0.0062	0.088	0.0758
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0062	0.088	0.093
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0425	0.8168	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0517	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0043	0.0043
Echinococcus granulosus	abhydrolase domain containing 3	0.0025	0.0133	0.009
Schistosoma mansoni	hypothetical protein	0.0025	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0133	0.009
Toxoplasma gondii	hypothetical protein	0.0025	0.0133	0.5
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0043	0.0043
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0425	0.8168	1
Leishmania major	Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X	0.0025	0.0133	0.0162
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0025	0.0133	0.0162
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0062	0.088	0.093
Echinococcus granulosus	abhydrolase domain containing protein 13	0.0025	0.0133	0.009
Brugia malayi	hypothetical protein	0.0286	0.536	0.5298
Brugia malayi	PHD-finger family protein	0.003	0.0233	0.0102
Trypanosoma cruzi	serine peptidase, putative	0.0025	0.0133	0.0162
Leishmania major	hypothetical protein, conserved	0.0025	0.0133	0.0162
Toxoplasma gondii	esterase/lipase/thioesterase domain-containing protein	0.0025	0.0133	0.5
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0062	0.088	0.0841
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.536	0.5341
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0425	0.8168	1
Mycobacterium ulcerans	amidase	0.0062	0.088	0.093
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0798	0.0675
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.1076	0.1038
Leishmania major	monoglyceride lipase, putative	0.0425	0.8168	1
Trypanosoma cruzi	amidase, putative	0.0062	0.088	0.1078
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0043	0.0043
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0062	0.088	0.1078
Echinococcus granulosus	zinc finger protein	0.0024	0.0104	0.0061
Plasmodium falciparum	lysophospholipase, putative	0.0425	0.8168	1
Brugia malayi	Amidase family protein	0.0062	0.088	0.0758
Echinococcus granulosus	Phospholipase carboxylesterase	0.0025	0.0133	0.009
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0129	0.0087
Trypanosoma brucei	monoglyceride lipase, putative	0.0425	0.8168	1
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.0025	0.0133	0.009
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0133	0.009
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0025	0.0133	0.0133
Plasmodium vivax	PST-A protein	0.0425	0.8168	1
Toxoplasma gondii	phospholipase/carboxylesterase	0.0025	0.0133	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.05	0.0459

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.0562 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.8526 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)	5.0119 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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)	89.1251 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

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: CHEMBL1575419

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 1432418