TDR Targets

Basic information

Technical information

TDR Targets ID: 175154
Name: 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]pheno xy]propanoic acid
MW: 333.723 | Formula: C16H12ClNO5
H donors: 1 H acceptors: 3 LogP: 4.22 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C
InChi: 1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)
InChiKey: MPPOHAUSNPTFAJ-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-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propionic acid
73519-55-8
113158-40-0
95617-09-7
108093-88-5
Fenoxaprop [BSI:ISO]
(+-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid (9CI)
(+-)-2-(4-(6-Chlorobenzoxazol-2-yloxy)phenoxy)propionic acid
Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, (R)-
Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-
36849_RIEDEL
(+-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid
Fenoxaprop
Fenoxaprop [ANSI]
Fenoxaprop acid
HOE 53022
Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, (+-)-
Fenoxaprop-P
(R)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid

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
Onchocerca volvulus	Fatty acid synthase homolog	0.127	0.827	1
Trichomonas vaginalis	AGC family protein kinase	0.0479	0.2062	0.0101
Trichomonas vaginalis	AGC family protein kinase	0.0571	0.2784	0.1002
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0506	0.2273	0.3461
Echinococcus granulosus	serine/threonine protein kinase	0.1022	0.6319	1
Echinococcus granulosus	Glutaredoxin protein 5	0.0919	0.5516	0.8113
Mycobacterium ulcerans	fatty acid synthase Fas	0.0221	0.0037	0.0056
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0479	0.2062	0.1331
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0479	0.2062	0.1331
Brugia malayi	AMP-binding enzyme family protein	0.0658	0.3467	0.3467
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.1053	0.6566	1
Brugia malayi	Protein kinase domain containing protein	0.0479	0.2062	0.2062
Echinococcus multilocularis	rac serine:threonine kinase	0.1022	0.6319	1
Loa Loa (eye worm)	hypothetical protein	0.0479	0.2062	0.1331
Schistosoma mansoni	serine/threonine-protein kinase	0.1022	0.6319	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0705	0.383	0.5834
Mycobacterium ulcerans	polyketide synthase	0.0748	0.4174	0.6357
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0748	0.4174	0.6337
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0748	0.4174	0.6357
Loa Loa (eye worm)	hypothetical protein	0.1184	0.7591	0.7369
Echinococcus granulosus	serine threonine protein kinase nrc	0.093	0.5597	0.8303
Trichomonas vaginalis	AGC family protein kinase	0.1491	1	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0683	0.3661	0.5576
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0658	0.3467	0.2866
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0748	0.4174	0.6357
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0567	0.275	0.4188
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0466	0.1957	0.2941
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0705	0.383	0.5834
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.1335	0.8783	0.8783
Entamoeba histolytica	protein kinase 2, putative	0.093	0.5597	0.4453
Trichomonas vaginalis	AGC family protein kinase	0.1491	1	1
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0748	0.4174	0.6337
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0919	0.5516	0.8113
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0587	0.2908	0.443
Schistosoma mansoni	serine/threonine-protein kinase	0.1022	0.6319	1
Entamoeba histolytica	protein kinase, putative	0.1491	1	1
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0748	0.4174	0.6357
Mycobacterium ulcerans	polyketide synthase Pks9	0.0466	0.1957	0.2981
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0479	0.2062	0.1331
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0705	0.383	0.5834
Loa Loa (eye worm)	hypothetical protein	0.0395	0.1398	0.0607
Toxoplasma gondii	type I fatty acid synthase, putative	0.0502	0.2237	0.1395
Giardia lamblia	Kinase, AGC PKA	0.093	0.5597	0.5
Mycobacterium leprae	Polyketide synthase Pks13	0.1053	0.6566	1
Trichomonas vaginalis	AGC family protein kinase	0.1491	1	1
Brugia malayi	Protein kinase domain containing protein	0.0479	0.2062	0.2062
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0748	0.4174	0.6337
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.1398	0.9278	0.9211
Mycobacterium ulcerans	polyketide synthase	0.0705	0.383	0.5834
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0479	0.2062	0.1331
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0479	0.2062	0.1331
Entamoeba histolytica	PH domain containing protein kinase, putative	0.1022	0.6319	0.5363
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.0221	0.0037	0.0056
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0567	0.275	0.4188
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.093	0.5597	0.8303
Toxoplasma gondii	AGC kinase	0.1398	0.9278	1
Trichomonas vaginalis	AGC family protein kinase	0.1491	1	1
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0748	0.4174	0.6357
Trypanosoma brucei	rac serine-threonine kinase, putative	0.1491	1	0.5
Brugia malayi	p70 ribosomal S6 kinase beta	0.1398	0.9278	0.9278
Trypanosoma cruzi	Protein kinase B	0.1022	0.6319	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0748	0.4174	0.6357
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0576	0.2823	0.4299
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0401	0.1444	0.2199
Mycobacterium ulcerans	polyketide synthase Pks13	0.1053	0.6566	1
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0587	0.2908	0.4398
Brugia malayi	protein kinase C II.	0.0479	0.2062	0.2062
Trichomonas vaginalis	AGC family protein kinase	0.0479	0.2062	0.0101
Entamoeba histolytica	protein kinase, putative	0.1491	1	1
Mycobacterium ulcerans	thioesterase TesA	0.0587	0.2908	0.443
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0705	0.383	0.581
Echinococcus multilocularis	nervana 2	0.0919	0.5516	0.8113
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.1053	0.6566	1
Echinococcus multilocularis	Glutaredoxin protein 5	0.0919	0.5516	0.8113
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.093	0.5597	0.5
Echinococcus multilocularis	nervana 2	0.0919	0.5516	0.8113
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0466	0.1957	0.2981
Echinococcus granulosus	nervana 2	0.0919	0.5516	0.8113
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0285	0.0536	0.0817
Entamoeba histolytica	protein kinase, putative	0.1398	0.9278	0.909
Loa Loa (eye worm)	fatty acid synthase	0.0695	0.3757	0.3182
Echinococcus granulosus	nervana 2	0.0919	0.5516	0.8113
Trichomonas vaginalis	AGC family protein kinase	0.0479	0.2062	0.0101
Toxoplasma gondii	type I fatty acid synthase, putative	0.0748	0.4174	0.3763
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0242	0.0201	0.0306
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.1022	0.6319	1
Trichomonas vaginalis	AGC family protein kinase	0.1491	1	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0567	0.275	0.4155
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0705	0.383	0.581
Loa Loa (eye worm)	AGC/AKT protein kinase	0.1491	1	1
Trichomonas vaginalis	AGC family protein kinase	0.1491	1	1
Mycobacterium ulcerans	thioesterase	0.0587	0.2908	0.443
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.093	0.5597	0.8303
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0919	0.5516	0.8113
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0705	0.383	0.5834
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0658	0.3467	0.528
Brugia malayi	Hr1 repeat family protein	0.0479	0.2062	0.2062
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0479	0.2062	0.1331
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0705	0.383	0.5834
Trichomonas vaginalis	AGC family protein kinase	0.1491	1	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0705	0.383	0.5834
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0683	0.3661	0.5576
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0705	0.383	0.383
Onchocerca volvulus		0.1226	0.7926	0.9285
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0457	0.1888	0.0969
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.093	0.5597	0.5
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0705	0.383	0.5834
Entamoeba histolytica	PH domain containing protein kinase, putative	0.1022	0.6319	0.5363

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity rating (functional)	< 0.7	In vitro cytotoxicity against resistant mammary adenocarcinoma-17/adr(M17/adr) after the administration of 7 injections (iv) at a dose of 455 (mg/kg)	ChEMBL.	12086498
Body weight loss at nadir (functional)	= 0 %	In vitro cytotoxicity against resistant mammary adenocarcinoma-17/adr(M17/adr) after the administration of 7 injections (iv) at a dose of 455 (mg/kg)	ChEMBL.	12086498
Cures (functional)	= 0	In vitro cytotoxicity against resistant mammary adenocarcinoma-17/adr(M17/adr) after the administration of 7 injections (iv) at a dose of 455 (mg/kg) in 3 Mice	ChEMBL.	12086498
Drug deaths (functional)	= 0	In vitro cytotoxicity against resistant mammary adenocarcinoma-17/adr(M17/adr) after the administration of 7 injections (iv) at a dose of 455 (mg/kg) in 3 Mice	ChEMBL.	12086498
IC50 (functional)	> 100 uM	DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro.	ChEMBL.	No reference
Log tumor cell kill (functional)	0	In vitro cytotoxicity against resistant mammary adenocarcinoma-17/adr(M17/adr) after the administration of 7 injections (iv) at a dose of 455 (mg/kg) ;Activity value is none	ChEMBL.	12086498
T/C (functional)	> 100 %	In vitro cytotoxicity against resistant mammary adenocarcinoma-17/adr(M17/adr) after the administration of 7 injections (iv) at a dose of 455 (mg/kg)	ChEMBL.	12086498

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: CHEMBL421035
PubChem: 86134

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 175154