Detailed information for compound 175621

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 194.159 | Formula: C10H7FO3
  • H donors: 1 H acceptors: 2 LogP: 1.57 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(C)c2c(o1)c(F)c(cc2)O
  • InChi: 1S/C10H7FO3/c1-5-4-8(13)14-10-6(5)2-3-7(12)9(10)11/h2-4,12H,1H3
  • InChiKey: OSVSVMCLEYHROD-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0344 0.1042 0.1008
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1026 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0553 0.3788 0.3765
Trichomonas vaginalis PIKK family atypical protein kinase 0.0816 0.7242 0.7232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0554 0.3799 0.3776
Trypanosoma cruzi target of rapamycin kinase 3 0.0817 0.7253 0.7243
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0344 0.1042 0.1008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0763 0.6546 0.6533
Trichomonas vaginalis PIKK family atypical protein kinase 0.0876 0.8029 0.8022
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1026 1 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0817 0.7253 0.7243
Plasmodium falciparum protein kinase 5 0.0268 0.0038 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1026 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1026 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1026 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0344 0.1042 0.1008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0344 0.1042 0.1008
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0344 0.1042 0.1008
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0344 0.1042 0.1008
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0485 0.2896 0.2869
Loa Loa (eye worm) phosphatidylinositol 3 0.0344 0.1042 0.1042
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1026 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1026 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0344 0.1042 0.1008
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0268 0.0038 0.0038
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0268 0.0038 0.0038
Plasmodium vivax protein kinase Crk2 0.0268 0.0038 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0816 0.7242 0.7232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0763 0.6546 0.6533
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0426 0.212 0.209
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1026 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0816 0.7242 0.7232
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0344 0.1042 0.1008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0553 0.3788 0.3765
Trichomonas vaginalis PIKK family atypical protein kinase 0.0607 0.4495 0.4475
Trichomonas vaginalis PIKK family atypical protein kinase 0.0607 0.4495 0.4475
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0344 0.1042 0.1008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0763 0.6546 0.6533
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1026 1 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0817 0.7253 0.7243
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0344 0.1042 0.1008
Trichomonas vaginalis PIKK family atypical protein kinase 0.1026 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0344 0.1042 0.1008
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1026 1 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0344 0.1042 0.1008
Giardia lamblia GTOR 0.1026 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0268 0.0038 0.0038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0613 0.4575 0.4555
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.0138 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0554 0.3799 0.3776
Trichomonas vaginalis PIKK family atypical protein kinase 0.0344 0.1042 0.1008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0763 0.6546 0.6533
Trichomonas vaginalis PIKK family atypical protein kinase 0.0816 0.7242 0.7232
Loa Loa (eye worm) phosphatidylinositol 3 0.1026 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0344 0.1042 0.1008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0763 0.6546 0.6533
Trichomonas vaginalis PIKK family atypical protein kinase 0.0613 0.4575 0.4555
Trichomonas vaginalis PIKK family atypical protein kinase 0.0763 0.6546 0.6533
Trichomonas vaginalis PIKK family atypical protein kinase 0.0553 0.3788 0.3765
Toxoplasma gondii target of rapamycin (TOR), putative 0.0763 0.6546 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0763 0.6546 0.6533
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1026 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1026 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0666 0.5271 0.5254
Trichomonas vaginalis PIKK family atypical protein kinase 0.0688 0.5563 0.5546
Trichomonas vaginalis PIKK family atypical protein kinase 0.0344 0.1042 0.1008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0554 0.3799 0.3776
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1026 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0613 0.4575 0.4555
Trichomonas vaginalis PIKK family atypical protein kinase 0.0554 0.3799 0.3776
Trichomonas vaginalis PIKK family atypical protein kinase 0.0816 0.7242 0.7232

Activities

Activity type Activity value Assay description Source Reference
pKa (ADMET) = 6.4 Photostability, pKa of the compound was evaluated ChEMBL. 9873685

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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