Detailed information for compound 1601905

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.236 | Formula: C15H10O7
  • H donors: 1 H acceptors: 4 LogP: 1.55 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1OC2C(O1)C1=C(C(O2)C)C(=O)c2c(C1=O)cccc2O
  • InChi: 1S/C15H10O7/c1-5-8-10(13-14(20-5)22-15(19)21-13)11(17)6-3-2-4-7(16)9(6)12(8)18/h2-5,13-14,16H,1H3
  • InChiKey: MCSWCIQAECMQGP-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
Homo sapiens v-akt murine thymoma viral oncogene homolog 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi p70 ribosomal S6 kinase beta Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium knowlesi RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi Protein kinase B Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium vivax rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium falciparum RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus calcium:calmodulin dependent protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Neospora caninum Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta-1, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K07390 monothiol glutaredoxin, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis rac serine:threonine kinase Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/AKT protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium berghei rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium yoelii kinase Akt/PKB-related Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma brucei gambiense rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine threonine protein kinase nrc Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma congolense rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K04456 RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Giardia lamblia Kinase, AGC PKA Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase 2, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma brucei rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/RSK/P70 protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Toxoplasma gondii AGC kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K08792 serum/glucocorticoid regulated kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans likely protein kinase similar to S. cerevisiae YPK2 (YMR104C) Get druggable targets OG5_126635 All targets in OG5_126635

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
Trichomonas vaginalis AGC family protein kinase 0.004 0.0551 0.1472
Echinococcus granulosus Glutaredoxin protein 5 0.0025 0.024 0.064
Trichomonas vaginalis AGC family protein kinase 0.0015 0.005 0.0134
Brugia malayi p70 ribosomal S6 kinase beta 0.0038 0.0501 0.0501
Echinococcus multilocularis rac serine:threonine kinase 0.0028 0.0296 0.0789
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0507 1 0.5
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0507 1 0.5
Schistosoma mansoni dihydroorotate dehydrogenase 0.0507 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0198 0.3746 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0507 1 0.5
Brugia malayi Zinc finger, C2H2 type family protein 0.0198 0.3746 0.3746
Trichomonas vaginalis AGC family protein kinase 0.004 0.0551 0.1472
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0507 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0198 0.3746 1
Entamoeba histolytica protein kinase, putative 0.004 0.0551 0.1472
Schistosoma mansoni serine/threonine-protein kinase 0.0028 0.0296 0.0296
Trypanosoma cruzi Protein kinase B 0.0028 0.0296 0.0051
Entamoeba histolytica protein kinase, putative 0.0038 0.0501 0.1338
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0507 1 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0025 0.0245 0.0655
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0198 0.3746 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0028 0.0296 0.0789
Loa Loa (eye worm) AGC/AKT protein kinase 0.004 0.0551 1
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0198 0.3746 1
Echinococcus granulosus serine/threonine protein kinase 0.0028 0.0296 0.0789
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0025 0.024 0.064
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0198 0.3746 1
Echinococcus granulosus nervana 2 0.0025 0.024 0.064
Entamoeba histolytica PH domain containing protein kinase, putative 0.0028 0.0296 0.0789
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0198 0.3746 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0198 0.3746 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0507 1 1
Echinococcus granulosus nervana 2 0.0025 0.024 0.064
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0198 0.3746 1
Trichomonas vaginalis AGC family protein kinase 0.004 0.0551 0.1472
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0198 0.3746 0.3588
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0038 0.0501 0.909
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0507 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0198 0.3746 1
Brugia malayi Protein kinase domain containing protein 0.004 0.0551 0.0551
Giardia lamblia Kinase, AGC PKA 0.0025 0.0245 0.5
Trichomonas vaginalis AGC family protein kinase 0.004 0.0551 0.1472
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0507 1 1
Entamoeba histolytica protein kinase 2, putative 0.0025 0.0245 0.0655
Echinococcus multilocularis Glutaredoxin protein 5 0.0025 0.024 0.064
Plasmodium falciparum dihydroorotate dehydrogenase 0.0507 1 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0025 0.0245 0.0655
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0507 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0025 0.024 0.064
Trichomonas vaginalis AGC family protein kinase 0.004 0.0551 0.1472
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0198 0.3746 1
Leishmania major dihydroorotate dehydrogenase 0.0507 1 0.5
Echinococcus multilocularis nervana 2 0.0025 0.024 0.064
Schistosoma mansoni serine/threonine-protein kinase 0.0028 0.0296 0.0296
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0507 1 0.5
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0198 0.3746 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0025 0.0245 0.0655
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0028 0.0296 0.0051
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0507 1 1
Trichomonas vaginalis AGC family protein kinase 0.004 0.0551 0.1472
Trichomonas vaginalis AGC family protein kinase 0.004 0.0551 0.1472
Entamoeba histolytica protein kinase, putative 0.004 0.0551 0.1472
Echinococcus multilocularis nervana 2 0.0025 0.024 0.064

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.313 uM Inhibition of AKT ChEMBL. 19309081
IC50 (functional) = 16.04 uM Growth inhibition of human K562 cells after 24 to 72 hrs by MTT assay ChEMBL. 20117936

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20117936

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.

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