TDR Targets

Basic information

Technical information

TDR Targets ID: 683794
Name: 2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]a cetic acid
MW: 364.191 | Formula: C16H14BrNO4
H donors: 2 H acceptors: 3 LogP: 3.15 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(COc1ccc(cc1Br)c1ccccc1)NCC(=O)O
InChi: 1S/C16H14BrNO4/c17-13-8-12(11-4-2-1-3-5-11)6-7-14(13)22-10-15(19)18-9-16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChiKey: ODYSYDWQQSUQKK-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]acetic acid
2-[[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]amino]acetic acid
2-[2-(2-bromo-4-phenyl-phenoxy)ethanoylamino]ethanoic acid
Oprea1_076348

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
Schistosoma mansoni	intermediate filament proteins	0.0108	0.0236	0.0272
Leishmania major	C-8 sterol isomerase-like protein	0.1104	0.2923	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0052	0.0086	0.0081
Mycobacterium ulcerans	beta-lactamase	0.0108	0.0236	0.5
Schistosoma mansoni	kinesin eg-5	0.0484	0.1251	0.1439
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0017	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0236	0.0808
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0236	0.5
Echinococcus granulosus	GPCR family 2	0.0127	0.0288	0.0283
Mycobacterium ulcerans	lipase LipD	0.0108	0.0236	0.5
Onchocerca volvulus		0.0108	0.0236	0.1369
Mycobacterium ulcerans	esterase/lipase LipP	0.0108	0.0236	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.008	0.0275
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0127	0.0288	0.0283
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0041	0.0036
Entamoeba histolytica	kinesin, putative	0.0484	0.1251	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0401	0.1028	0.3491
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0127	0.0288	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0564	0.1467	0.5019
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0236	0.0809
Loa Loa (eye worm)	hypothetical protein	0.007	0.0133	0.0456
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0005	0.0006
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0058	0.0101	0.0346
Onchocerca volvulus		0.0157	0.0369	1
Echinococcus multilocularis	kinesin family 1	0.3727	1	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0108	0.0236	0.0809
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0401	0.1028	0.3491
Loa Loa (eye worm)	hypothetical protein	0.0401	0.1028	0.3516
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0127	0.0288	0.0984
Echinococcus granulosus	lamin	0.0108	0.0236	0.0231
Brugia malayi	MH2 domain containing protein	0.0239	0.0591	0.1989
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0127	0.0288	0.0283
Onchocerca volvulus		0.0108	0.0236	0.1383
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0108	0.0236	0.5
Mycobacterium leprae	Probable lipase LipE	0.0108	0.0236	0.5
Brugia malayi	cytoplasmic intermediate filament protein	0.0058	0.0101	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0059	0.02
Schistosoma mansoni	lamin	0.0108	0.0236	0.0272
Echinococcus multilocularis	geminin	0.0181	0.0433	0.0428
Loa Loa (eye worm)	hypothetical protein	0.005	0.008	0.0275
Echinococcus multilocularis	lamin	0.0108	0.0236	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0288	0.0984
Onchocerca volvulus		0.0108	0.0236	0.1369
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0236	0.0808
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0236	0.5
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0017	0.0019
Echinococcus granulosus	lamin dm0	0.0108	0.0236	0.0231
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0052	0.0086	0.0081
Mycobacterium ulcerans	hypothetical protein	0.0108	0.0236	0.5
Schistosoma mansoni	hypothetical protein	0.0181	0.0433	0.0498
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.0236	0.5
Plasmodium falciparum	kinesin-5	0.0484	0.1251	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0236	0.0808
Brugia malayi	latrophilin 2 splice variant baaae	0.0274	0.0685	0.2314
Brugia malayi	beta-lactamase family protein	0.0108	0.0236	0.0772
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0041	0.0036
Brugia malayi	Kinesin motor domain containing protein	0.0484	0.1251	0.4259
Trichomonas vaginalis	esterase, putative	0.0108	0.0236	0.5
Loa Loa (eye worm)	hypothetical protein	0.01	0.0215	0.0736
Schistosoma mansoni	lamin	0.0108	0.0236	0.0272
Loa Loa (eye worm)	STAT protein	0.0158	0.0371	0.1271
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0236	0.0808
Loa Loa (eye worm)	hypothetical protein	0.1104	0.2923	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0236	0.0808
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0108	0.0236	0.0231
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0689	0.1805	1
Schistosoma mansoni	hypothetical protein	0.3243	0.8694	1
Onchocerca volvulus		0.0108	0.0236	0.1369
Loa Loa (eye worm)	hypothetical protein	0.004	0.0053	0.0183
Schistosoma mansoni	hypothetical protein	0.0127	0.0288	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0086	0.0293
Schistosoma mansoni	cellular tumor antigen P53	0.01	0.0215	0.0248
Echinococcus granulosus	tumor protein p63	0.0684	0.1791	0.1786
Toxoplasma gondii	kinesin motor domain-containing protein	0.0484	0.1251	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0047	0.0161
Loa Loa (eye worm)	transcription factor SMAD2	0.0239	0.0591	0.2021
Plasmodium vivax	kinesin-5	0.0484	0.1251	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.0104	0.0099
Brugia malayi	Intermediate filament tail domain containing protein	0.0108	0.0236	0.0773
Schistosoma mansoni	hypothetical protein	0.0127	0.0288	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0369	0.1261
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.1104	0.2923	1
Echinococcus granulosus	intermediate filament protein	0.0108	0.0236	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0231	0.0791
Brugia malayi	hypothetical protein	0.0157	0.0369	0.1227
Echinococcus multilocularis	musashi	0.0108	0.0236	0.0231
Schistosoma mansoni	hypothetical protein	0.0181	0.0433	0.0498
Mycobacterium leprae	conserved hypothetical protein	0.0108	0.0236	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0108	0.0236	0.0809
Onchocerca volvulus		0.0108	0.0236	0.1383
Schistosoma mansoni	hypothetical protein	0.0127	0.0288	0.0331
Brugia malayi	beta-lactamase	0.0108	0.0236	0.0772
Schistosoma mansoni	bromodomain containing protein	0.0062	0.0113	0.013
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.1104	0.2923	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0108	0.0236	0.0772
Schistosoma mansoni	hypothetical protein	0.0274	0.0685	0.0788
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0158	0.0371	0.1237
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0127	0.0288	0.0283
Brugia malayi	beta-lactamase family protein	0.0108	0.0236	0.0772
Echinococcus multilocularis	lamin dm0	0.0108	0.0236	0.0231
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0401	0.1028	0.3516
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0127	0.0288	0.0949
Echinococcus granulosus	beta LACTamase domain containing family member	0.0108	0.0236	0.0231
Echinococcus multilocularis	tumor protein p63	0.0684	0.1791	0.1786
Loa Loa (eye worm)	MH2 domain-containing protein	0.0239	0.0591	0.2021
Brugia malayi	intermediate filament protein	0.0108	0.0236	0.0773
Giardia lamblia	Kinesin-5	0.0484	0.1251	0.5
Brugia malayi	Bromodomain containing protein	0.0074	0.0145	0.0458
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.0236	0.0272
Loa Loa (eye worm)	beta-lactamase	0.0108	0.0236	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0274	0.0685	0.2344
Trypanosoma brucei	C-8 sterol isomerase, putative	0.1104	0.2923	1
Brugia malayi	Latrophilin receptor protein 2	0.0127	0.0288	0.0949
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0484	0.1251	0.4282
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.0236	0.5
Echinococcus multilocularis	GPCR, family 2	0.0127	0.0288	0.0283
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0236	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.0104	0.0099
Echinococcus granulosus	geminin	0.0181	0.0433	0.0428
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.0236	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0236	0.0808
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0108	0.0236	0.0808
Brugia malayi	Bromodomain containing protein	0.0038	0.0047	0.0122
Schistosoma mansoni	hypothetical protein	0.0127	0.0288	0.0331

Activities

No activities found for this compound.

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

Search by Saint Jude

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 683794