Detailed information for compound 286813

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 250.678 | Formula: C13H11ClO3
  • H donors: 0 H acceptors: 3 LogP: 2.22 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCCC(=O)C1C(=O)c1ccccc1Cl
  • InChi: 1S/C13H11ClO3/c14-9-5-2-1-4-8(9)13(17)12-10(15)6-3-7-11(12)16/h1-2,4-5,12H,3,6-7H2
  • InChiKey: TYJXBELAFWQDPT-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa 4-hydroxyphenylpyruvate dioxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Putative protein Get druggable targets OG5_129448 All targets in OG5_129448
Candida albicans similar to HPPD a 4-hydroxyphenylpyruvate dioxygenase Get druggable targets OG5_129448 All targets in OG5_129448
Candida albicans similar to HPPD a 4-hydroxyphenylpyruvate dioxygenase Get druggable targets OG5_129448 All targets in OG5_129448
Loa Loa (eye worm) 4-hydroxyphenylpyruvate dioxygenase Get druggable targets OG5_129448 All targets in OG5_129448
Brugia malayi 4-hydroxyphenylpyruvate dioxygenase family protein Get druggable targets OG5_129448 All targets in OG5_129448

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
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0355 0.5194 0.2322
Loa Loa (eye worm) hypothetical protein 0.0353 0.5168 0.5131
Echinococcus granulosus Na:K ATPase alpha subunit 0.0307 0.4189 0.0716
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.058 1 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.0955 0.0886
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0157 0.0981 0.1888
Echinococcus granulosus nervana 2 0.058 1 1
Loa Loa (eye worm) 4-hydroxyphenylpyruvate dioxygenase 0.0366 0.5443 0.5408
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0172 0.1307 0.1687
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0353 0.5168 1
Toxoplasma gondii P-type ATPase PMA1 0.0224 0.2409 0.3429
Onchocerca volvulus 0.0374 0.5616 0.0381
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0355 0.5194 1
Brugia malayi 4-hydroxyphenylpyruvate dioxygenase family protein 0.0366 0.5443 0.9618
Toxoplasma gondii P-type ATPase4, putative 0.0355 0.5194 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0353 0.5168 0.9951
Schistosoma mansoni transmemberane protein 0.058 1 1
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0353 0.5168 0.9909
Trypanosoma cruzi P-type H+-ATPase, putative 0.0224 0.2409 0.4211
Echinococcus granulosus nervana 2 0.058 1 1
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0376 0.5642 0.5609
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0353 0.5168 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.058 1 1
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.0198 0.1855 0.3571
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0353 0.5168 0.9909
Loa Loa (eye worm) hypothetical protein 0.0151 0.0849 0.078
Trypanosoma brucei P-type H+-ATPase, putative 0.0224 0.2409 0.2854
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0353 0.5168 1
Onchocerca volvulus 0.058 1 1
Loa Loa (eye worm) sodium potassium adenosine triphosphatase 0.0156 0.0955 0.0886
Brugia malayi Membrane calcium atpase protein 3 0.0286 0.3741 0.6354
Loa Loa (eye worm) hypothetical protein 0.0172 0.1307 0.124
Echinococcus multilocularis nervana 2 0.058 1 1
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0376 0.5642 0.3037
Leishmania major calcium-translocating P-type ATPase 0.0353 0.5168 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0353 0.5168 0.9909
Echinococcus multilocularis nervana 2 0.058 1 1
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0353 0.5168 0.2281
Schistosoma mansoni sodium / potassium ATPase beta chain 0.058 1 1
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0307 0.4189 0.0716
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0286 0.3741 0.6303
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0355 0.5194 0.8534
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0353 0.5168 1
Brugia malayi Na,K-ATPase alpha subunit 0.0376 0.5642 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.058 1 1
Brugia malayi Sodium/potassium-transporting ATPase alpha-3 chain, putative 0.0156 0.0955 0.1014
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0261 0.3208 0.3156
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0353 0.5168 0.9909
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0353 0.5168 1
Trypanosoma brucei calcium-translocating P-type ATPase 0.0286 0.3741 0.6303
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0307 0.4189 0.3258
Echinococcus multilocularis nervana 2 0.058 1 1
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0286 0.3741 0.6571
Plasmodium vivax P-type ATPase4, putative 0.0355 0.5194 0.5
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.026 0.3182 0.5
Trypanosoma cruzi plasma-membrane proton-efflux P-type ATPase, putative 0.0156 0.0955 0.1162
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0286 0.3741 0.6354
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0353 0.5168 0.9909
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0353 0.5168 1
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.0156 0.0955 0.1162
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0353 0.5168 0.994
Leishmania major calcium-transporting ATPase, putative 0.0286 0.3741 0.4826
Leishmania major P-type ATPase, putative 0.0286 0.3741 0.4826
Brugia malayi E1-E2 ATPase family protein 0.0225 0.2434 0.3849
Brugia malayi calcium ATPase 0.0156 0.0955 0.1014
Loa Loa (eye worm) hypothetical protein 0.058 1 1
Schistosoma mansoni ATPase 0.0353 0.5168 0.2281
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0172 0.1307 0.124
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.058 1 1
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0261 0.3208 0.5333
Trichomonas vaginalis cation-transporting ATPase, putative 0.0353 0.5168 0.9909
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.058 1 1
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0353 0.5168 0.2281
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0307 0.4189 0.0716
Leishmania major calcium motive p-type ATPase, putative 0.0286 0.3741 0.4826
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.058 1 1
Loa Loa (eye worm) calcium ATPase 0.0199 0.188 0.1818
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0355 0.5194 0.2322
Trichomonas vaginalis cation-transporting ATPase, putative 0.0353 0.5168 0.9909
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0199 0.188 0.2787
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0355 0.5194 0.2322
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0353 0.5168 0.9951
Trichomonas vaginalis cation-transporting ATPase, putative 0.0353 0.5168 0.9909
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0355 0.5194 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0353 0.5168 0.9951
Loa Loa (eye worm) hypothetical protein 0.0131 0.0423 0.035
Echinococcus granulosus nervana 2 0.058 1 1
Echinococcus multilocularis nervana 2 0.058 1 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.058 1 1
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0353 0.5168 1
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.058 1 1
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0374 0.5616 1
Trypanosoma cruzi P-type H+-ATPase, putative 0.0224 0.2409 0.4211
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0353 0.5168 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0355 0.5194 1
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0239 0.2734 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0286 0.3741 0.4782
Trypanosoma cruzi P-type H+-ATPase, putative 0.0156 0.0955 0.1162
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0286 0.3741 0.7005
Plasmodium vivax calcium-transporting ATPase, putative 0.0355 0.5194 0.5
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0286 0.3741 0.7005
Onchocerca volvulus 0.058 1 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.058 1 1
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0355 0.5194 0.2322
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0355 0.5194 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0353 0.5168 1
Loa Loa (eye worm) E1-E2 ATPase 0.0224 0.2409 0.2351
Loa Loa (eye worm) hypothetical protein 0.0376 0.5642 0.5609
Trypanosoma brucei P-type H+-ATPase, putative 0.0224 0.2409 0.2854
Schistosoma mansoni ATPase 0.0353 0.5168 0.2281
Echinococcus granulosus nervana 2 0.058 1 1
Loa Loa (eye worm) hypothetical protein 0.058 1 1
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0199 0.188 0.362
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.058 1 1
Trypanosoma cruzi calcium-transporting ATPase, putative 0.0172 0.1307 0.1899

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.5 uM Inhibition of 4-hydroxyphenylpyruvate dioxygenase of purified pig liver by enol-borate method ChEMBL. 10853644
IC50 (binding) = 0.5 uM Inhibition of 4-hydroxyphenylpyruvate dioxygenase of purified pig liver by enol-borate method ChEMBL. 10853644

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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