TDR Targets

Basic information

Technical information

TDR Targets ID: 1491619
Name: 2-[[2-[4-[(4-fluorobenzoyl)-methylamino]pheno xy]acetyl]amino]benzoic acid
MW: 422.406 | Formula: C23H19FN2O5
H donors: 2 H acceptors: 4 LogP: 3.99 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1C(=O)O)COc1ccc(cc1)N(C(=O)c1ccc(cc1)F)C
InChi: 1S/C23H19FN2O5/c1-26(22(28)15-6-8-16(24)9-7-15)17-10-12-18(13-11-17)31-14-21(27)25-20-5-3-2-4-19(20)23(29)30/h2-13H,14H2,1H3,(H,25,27)(H,29,30)
InChiKey: KDLBZLOXYYTVJR-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-[4-[(4-fluorobenzoyl)-methyl-amino]phenoxy]acetyl]amino]benzoic acid
2-[[2-[4-[[(4-fluorophenyl)-oxomethyl]-methylamino]phenoxy]-1-oxoethyl]amino]benzoic acid
2-[2-[4-[(4-fluorophenyl)carbonyl-methyl-amino]phenoxy]ethanoylamino]benzoic acid
T0510-1923

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0051	0.5023	0.5
Trypanosoma brucei	metallo-beta-lactamase-like protein, putative	0.0051	0.5023	0.5
Echinococcus multilocularis	ETHE1 protein	0.0051	0.5023	0.5
Mycobacterium ulcerans	glyoxalase II, GloB	0.0051	0.5023	0.5
Schistosoma mansoni	hypothetical protein	0.0051	0.5023	1
Toxoplasma gondii	hydroxyacylglutathione hydrolase	0.0051	0.5023	0.5
Echinococcus granulosus	hydroxyacylglutathione hydrolase	0.0051	0.5023	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0051	0.5023	0.5
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase cytoplasmic	0.0051	0.5023	0.5023
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0051	0.5023	0.5
Schistosoma mansoni	zinc phosphodiesterase	0.0051	0.5023	1
Mycobacterium tuberculosis	Beta lactamase like protein	0.0051	0.5023	0.5
Onchocerca volvulus		0.0051	0.5023	0.5
Mycobacterium ulcerans	hydrolase	0.0051	0.5023	0.5
Schistosoma mansoni	hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II)	0.0051	0.5023	1
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0051	0.5023	0.5
Mycobacterium tuberculosis	Conserved protein	0.0051	0.5023	0.5
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0051	0.5023	0.5
Mycobacterium ulcerans	Zn-dependent glyoxylase	0.0051	0.5023	0.5
Wolbachia endosymbiont of Brugia malayi	metallo-beta-lactamase superfamily hydrolase	0.0051	0.5023	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0051	0.5023	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0051	0.5023	0.5
Mycobacterium leprae	Beta-lactamase-like protein	0.0051	0.5023	0.5
Mycobacterium tuberculosis	Possible hydrolase	0.0051	0.5023	0.5
Trypanosoma brucei	glyoxalase II	0.0051	0.5023	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.5023	0.5023
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0051	0.5023	0.5
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0051	0.5023	0.5
Trypanosoma cruzi	glyoxalase II	0.0051	0.5023	0.5
Chlamydia trachomatis	ribonuclease Z	0.0051	0.5023	0.5
Giardia lamblia	Metallo-beta-lactamase superfamily protein	0.0051	0.5023	0.5
Trypanosoma brucei	cleavage and polyadenylation specificity factor subunit, putative	0.0051	0.5023	0.5
Mycobacterium tuberculosis	Possible hydrolase	0.0051	0.5023	0.5
Mycobacterium ulcerans	hydrolase	0.0051	0.5023	0.5
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0051	0.5023	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.5023	0.5023
Mycobacterium tuberculosis	Conserved protein	0.0051	0.5023	0.5
Brugia malayi	Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site.	0.0051	0.5023	0.5023
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0051	0.5023	0.5
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0051	0.5023	0.5023
Mycobacterium ulcerans	hypothetical protein	0.0051	0.5023	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.5023	0.5
Leishmania major	hypothetical protein, conserved	0.0051	0.5023	0.5
Mycobacterium ulcerans	beta lactamase-like protein	0.0051	0.5023	0.5
Entamoeba histolytica	alkyl sulfatase, putative	0.0051	0.5023	0.5
Entamoeba histolytica	type A flavoprotein, putative	0.0051	0.5023	0.5
Mycobacterium ulcerans	hypothetical protein	0.0051	0.5023	0.5
Brugia malayi	hypothetical protein	0.0051	0.5023	0.5023
Plasmodium vivax	hydroxyacyl glutathione hydrolase, putative	0.0051	0.5023	0.5
Treponema pallidum	ribonuclease Z	0.0051	0.5023	0.5
Mycobacterium tuberculosis	Conserved protein	0.0051	0.5023	0.5
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0051	0.5023	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.5023	0.5
Plasmodium vivax	unspecified product	0.0051	0.5023	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.5023	0.5
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0051	0.5023	0.5
Mycobacterium ulcerans	hydrolase	0.0051	0.5023	0.5
Trypanosoma cruzi	glyoxalase II	0.0051	0.5023	0.5
Trichomonas vaginalis	A-type flavoprotein	0.0051	0.5023	0.5
Mycobacterium ulcerans	hypothetical protein	0.0051	0.5023	0.5
Onchocerca volvulus	Putative hydrolase PNKD	0.0051	0.5023	0.5
Echinococcus granulosus	ETHE1 protein	0.0051	0.5023	0.5
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0051	0.5023	0.5
Leishmania major	metallo-beta-lactamase family protein-like protein	0.0051	0.5023	0.5
Schistosoma mansoni	hypothetical protein	0.0051	0.5023	1
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase	0.0051	0.5023	0.5023
Echinococcus multilocularis	zinc phosphodiesterase	0.0051	0.5023	0.5
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0051	0.5023	0.5023
Entamoeba histolytica	hypothetical protein, conserved	0.0051	0.5023	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.5023	0.5
Leishmania major	hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative	0.0051	0.5023	0.5
Brugia malayi	ethe1-prov protein	0.0051	0.5023	0.5023
Trypanosoma brucei	hydroxyacylglutathione hydrolase, putative	0.0051	0.5023	0.5
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0051	0.5023	0.5
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0051	0.5023	0.5
Entamoeba histolytica	type A flavoprotein, putative	0.0051	0.5023	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.5023	0.5
Loa Loa (eye worm)	metallo-beta-lactamase superfamily protein	0.0051	0.5023	0.5023
Mycobacterium leprae	POSSIBLE HYDROLASE	0.0051	0.5023	0.5
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0051	0.5023	0.5
Onchocerca volvulus	Hydroxyacylglutathione hydrolase, mitochondrial homolog	0.0051	0.5023	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0051	0.5023	0.5
Leishmania major	metallo-beta-lactamase family-like protein	0.0051	0.5023	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0051	0.5023	0.5
Mycobacterium ulcerans	hypothetical protein	0.0051	0.5023	0.5
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0051	0.5023	0.5
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0051	0.5023	0.5
Schistosoma mansoni	zinc phosphodiesterase	0.0051	0.5023	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	1	1
Trichomonas vaginalis	beta lactamase domain, putative	0.0051	0.5023	0.5
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0051	0.5023	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0051	0.5023	0.5
Leishmania major	cleavage and polyadenylation specificity factor, putative	0.0051	0.5023	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.5023	0.5
Echinococcus granulosus	zinc phosphodiesterase	0.0051	0.5023	0.5
Echinococcus multilocularis	hydroxyacylglutathione hydrolase	0.0051	0.5023	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.5023	0.5023
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	1	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.5023	0.5023
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0051	0.5023	0.5
Trypanosoma cruzi	glyoxalase II	0.0051	0.5023	0.5
Plasmodium falciparum	cytosolic glyoxalase II	0.0051	0.5023	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0051	0.5023	0.5
Schistosoma mansoni	hypothetical protein	0.0051	0.5023	1
Onchocerca volvulus		0.0051	0.5023	0.5
Toxoplasma gondii	metallo-beta-lactamase domain-containing protein	0.0051	0.5023	0.5
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0051	0.5023	0.5
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0051	0.5023	0.5
Entamoeba histolytica	alkyl sulfatase, putative	0.0051	0.5023	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0051	0.5023	0.5
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0051	0.5023	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	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: CHEMBL1702082

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 1491619