TDR Targets

Basic information

Technical information

TDR Targets ID: 1495420
Name: [2-(methyl-phenylamino)-2-oxoethyl] 2-[(2-chl orobenzoyl)amino]acetate
MW: 360.792 | Formula: C18H17ClN2O4
H donors: 1 H acceptors: 3 LogP: 2.83 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CNC(=O)c1ccccc1Cl)OCC(=O)N(c1ccccc1)C
InChi: 1S/C18H17ClN2O4/c1-21(13-7-3-2-4-8-13)16(22)12-25-17(23)11-20-18(24)14-9-5-6-10-15(14)19/h2-10H,11-12H2,1H3,(H,20,24)
InChiKey: FATQCAPBFBGAKZ-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-(methyl-phenyl-amino)-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]acetate
2-[[(2-chlorophenyl)-oxomethyl]amino]acetic acid [2-(methyl-phenylamino)-2-oxoethyl] ester
2-[(2-chlorobenzoyl)amino]acetic acid [2-keto-2-(methyl-phenyl-amino)ethyl] ester
[2-(methyl-phenyl-amino)-2-oxo-ethyl] 2-[(2-chlorophenyl)carbonylamino]ethanoate
T0513-2653
MLS001005871
SMR000348999
ZINC03263845

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
Brugia malayi	Importin beta-1 subunit	0.0034	0.0053	0.0321
Brugia malayi	PHD-finger family protein	0.0029	0.0026	0.0156
Mycobacterium ulcerans	monoamine oxidase	0.0223	0.1187	0.1095
Toxoplasma gondii	HEAT repeat-containing protein	0.0034	0.0053	0.0448
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0103	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0045	0.012	0.0598
Brugia malayi	SWIRM domain containing protein	0.0223	0.1187	0.7169
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0103	0.0624
Brugia malayi	Bromodomain containing protein	0.0045	0.0119	0.072
Trichomonas vaginalis	glucosylceramidase, putative	0.0208	0.1099	0.6638
Plasmodium vivax	importin-beta 2, putative	0.0034	0.0053	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0103	0.0516
Schistosoma mansoni	bromodomain containing protein	0.0074	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0223	0.1187	0.5929
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0015	0.0127
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1656	1
Brugia malayi	beta-lactamase family protein	0.0042	0.0103	0.0624
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0223	0.1187	0.137
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0025	0	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0103	0.0516
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0103	0.087
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0103	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0103	0.0516
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1656	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0015	0.0091
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.1035	0.6253
Mycobacterium ulcerans	dehydrogenase	0.0223	0.1187	0.1095
Echinococcus granulosus	importin subunit beta 1	0.0034	0.0053	0.0061
Echinococcus granulosus	protoporphyrinogen oxidase	0.147	0.8665	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0103	0.0103
Echinococcus granulosus	fetal alzheimer antigen falz	0.0026	0.0009	0.0011
Brugia malayi	RNA, U transporter 1	0.0096	0.0425	0.2564
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1656	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.1035	0.6253
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.1035	0.6253
Trichomonas vaginalis	glucosylceramidase, putative	0.0208	0.1099	0.6638
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0223	0.1187	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0103	0.0624
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0053	0.515
Onchocerca volvulus	Glucosylceramidase homolog	0.0197	0.1035	0.8601
Leishmania major	UDP-galactopyranose mutase	0.0223	0.1187	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0346	0.1727
Toxoplasma gondii	histone lysine-specific demethylase	0.0223	0.1187	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1656	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0103	0.0624
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0223	0.1187	1
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0015	0.0091
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0268	0.1459	0.1583
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.1035	0.6253
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0026	0.0009	0.0009
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0053	0.515
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.1693	1	1
Loa Loa (eye worm)	hypothetical protein	0.0223	0.1187	0.5929
Echinococcus multilocularis		0.0223	0.1187	0.1187
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0103	0.0103
Brugia malayi	Bromodomain containing protein	0.0087	0.0376	0.2269
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0223	0.1187	1
Schistosoma mansoni	amine oxidase	0.0223	0.1187	0.1187
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0223	0.1187	0.1187
Brugia malayi	hypothetical protein	0.0223	0.1187	0.7169
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0223	0.1187	0.137
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0103	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0136	0.0681
Leishmania major	hypothetical protein, conserved	0.0042	0.0103	0.087
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0223	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0223	0.1187	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0103	0.0516
Mycobacterium tuberculosis	Possible oxidoreductase	0.0223	0.1187	0.1266
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0223	0.1187	0.1095
Echinococcus multilocularis	snurportin 1	0.0359	0.2002	0.2002
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0301	0.1656	1
Toxoplasma gondii	ABC1 family protein	0.0042	0.0103	0.087
Brugia malayi	beta-lactamase	0.0042	0.0103	0.0624
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0042	0.0103	0.0119
Plasmodium vivax	hypothetical protein, conserved	0.0223	0.1187	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1656	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0103	0.0624
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0103	0.0624
Plasmodium vivax	hypothetical protein, conserved	0.0223	0.1187	1
Echinococcus granulosus	snurportin 1	0.0359	0.2002	0.2311
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0103	0.0624
Brugia malayi	amine oxidase, flavin-containing family protein	0.0223	0.1187	0.7169
Loa Loa (eye worm)	hypothetical protein	0.0223	0.1187	0.5929
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0103	0.087
Schistosoma mansoni	importin beta-1	0.0034	0.0053	0.0053
Entamoeba histolytica	hypothetical protein	0.0027	0.0015	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.007	0.0269	0.031
Plasmodium falciparum	protoporphyrinogen oxidase	0.0223	0.1187	1
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0223	0.1187	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0026	0.0009	0.0009
Schistosoma mansoni	hypothetical protein	0.0359	0.2002	0.2002
Schistosoma mansoni	amine oxidase	0.0223	0.1187	0.1187
Echinococcus multilocularis	protoporphyrinogen oxidase	0.1693	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.1035	0.6253
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.1693	1	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0015	0.0091
Loa Loa (eye worm)	hypothetical protein	0.005	0.015	0.0748
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0015	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0053	0.0266
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0223	0.1187	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0301	0.1656	0.827
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0359	0.2002	1
Brugia malayi	beta-lactamase family protein	0.0042	0.0103	0.0624
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1656	1
Echinococcus multilocularis	importin subunit beta 1	0.0034	0.0053	0.0053
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0223	0.1187	0.1095
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0223	0.1187	1
Loa Loa (eye worm)	hypothetical protein	0.0223	0.1187	0.5929
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	0.147	0.8665	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0103	0.0119
Trichomonas vaginalis	esterase, putative	0.0042	0.0103	0.0624
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0103	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0223	0.1187	0.5929
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.1035	0.6253
Trichomonas vaginalis	glucosylceramidase, putative	0.0197	0.1035	0.6253
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.007	0.0269	0.0269
Mycobacterium ulcerans	oxidoreductase	0.0223	0.1187	0.1095
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0103	0.087
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.1693	1	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0223	0.1187	0.1266
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0042	0.0103	0.0103
Onchocerca volvulus		0.0223	0.1187	1
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0223	0.1187	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0103	0.0516
Plasmodium falciparum	importin beta, putative	0.0034	0.0053	0.0448

Activities

Activity type	Activity value	Assay description	Source	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

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: CHEMBL1700190

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 1495420