Detailed information for compound 175154

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

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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

Obtained from network model

Ranking Plot


Putative Targets List


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

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

Bibliographic References

1 literature reference was collected for this gene.

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