Detailed information for compound 34238

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.3 | Formula: C16H15FN2O4
  • H donors: 0 H acceptors: 4 LogP: 2.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1C(=O)n1c(=O)c(F)cn(c1=O)C(=O)C(C)C
  • InChi: 1S/C16H15FN2O4/c1-9(2)13(20)18-8-12(17)15(22)19(16(18)23)14(21)11-7-5-4-6-10(11)3/h4-9H,1-3H3
  • InChiKey: XTQKFRDTXJGYLC-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
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0039 0.0216 0.0238
Brugia malayi Pepsin A precursor 0.0039 0.0216 0.0238
Loa Loa (eye worm) hypothetical protein 0.0039 0.0216 0.0238
Echinococcus multilocularis acetylcholinesterase 0.0896 0.9103 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0896 0.9103 0.9103
Schistosoma mansoni BC026374 protein (S09 family) 0.0151 0.1378 0.1378
Brugia malayi hypothetical protein 0.0151 0.1378 0.1513
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0039 0.0216 0.0238
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0216 0.0216
Plasmodium vivax aspartyl protease, putative 0.0039 0.0216 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0151 0.1378 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0896 0.9103 1
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0185 0.1729 1
Schistosoma mansoni gliotactin 0.0151 0.1378 0.1378
Plasmodium falciparum plasmepsin V 0.0039 0.0216 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0151 0.1378 0.1513
Plasmodium vivax aspartyl protease, putative 0.0039 0.0216 0.5
Echinococcus multilocularis neuroligin 0.0151 0.1378 0.1513
Echinococcus granulosus BC026374 protein S09 family 0.0151 0.1378 0.1513
Brugia malayi Carboxylesterase family protein 0.0151 0.1378 0.1513
Echinococcus multilocularis BC026374 protein (S09 family) 0.0151 0.1378 0.1513
Plasmodium falciparum plasmepsin VI 0.0039 0.0216 0.5
Onchocerca volvulus 0.0039 0.0216 0.1251
Plasmodium falciparum plasmepsin VII 0.0039 0.0216 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0151 0.1378 0.1378
Brugia malayi aspartic protease BmAsp-1, identical 0.0039 0.0216 0.0238
Loa Loa (eye worm) carboxylesterase 0.0151 0.1378 0.1513
Brugia malayi Protein kinase domain containing protein 0.0185 0.1729 0.1899
Loa Loa (eye worm) hypothetical protein 0.0151 0.1378 0.1513
Brugia malayi Carboxylesterase family protein 0.0896 0.9103 1
Echinococcus granulosus carboxylesterase 5A 0.0896 0.9103 1
Loa Loa (eye worm) carboxylesterase 0.0151 0.1378 0.1513
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0151 0.1378 0.1378
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0216 0.0216
Plasmodium vivax aspartyl proteinase, putative 0.0039 0.0216 0.5
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0039 0.0216 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0151 0.1378 0.1513
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0185 0.1729 0.1899
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0216 0.0216
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0185 0.1729 0.1899
Brugia malayi aspartic protease BmAsp-2, identical 0.0039 0.0216 0.0238
Onchocerca volvulus 0.0151 0.1378 0.7969
Onchocerca volvulus 0.0039 0.0216 0.1251
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0216 0.0216
Brugia malayi hypothetical protein 0.0039 0.0216 0.0238
Loa Loa (eye worm) carboxylesterase 0.0896 0.9103 1
Onchocerca volvulus 0.0151 0.1378 0.7969
Plasmodium falciparum plasmepsin II 0.0039 0.0216 0.5
Toxoplasma gondii aspartyl protease ASP1 0.0039 0.0216 0.5
Onchocerca volvulus 0.0151 0.1378 0.7969
Mycobacterium ulcerans carboxylesterase, LipT 0.0151 0.1378 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0185 0.1729 0.1729
Loa Loa (eye worm) hypothetical protein 0.0896 0.9103 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1378 0.1513
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0185 0.1729 0.1899
Plasmodium vivax plasmepsin V, putative 0.0039 0.0216 0.5
Brugia malayi Carboxylesterase family protein 0.0896 0.9103 1
Brugia malayi Eukaryotic aspartyl protease family protein 0.0039 0.0216 0.0238
Echinococcus granulosus para nitrobenzyl esterase 0.0151 0.1378 0.1513
Echinococcus granulosus acetylcholinesterase 0.0896 0.9103 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0151 0.1378 0.1378
Echinococcus multilocularis para nitrobenzyl esterase 0.0151 0.1378 0.1513
Loa Loa (eye worm) hypothetical protein 0.0151 0.1378 0.1513
Brugia malayi Carboxylesterase family protein 0.0151 0.1378 0.1513
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0185 0.1729 0.1899
Schistosoma mansoni acetylcholinesterase 0.0151 0.1378 0.1378
Brugia malayi Carboxylesterase family protein 0.0151 0.1378 0.1513
Loa Loa (eye worm) hypothetical protein 0.0896 0.9103 1
Plasmodium falciparum plasmepsin I 0.0039 0.0216 0.5
Plasmodium vivax aspartyl proteinase, putative 0.0039 0.0216 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.0151 0.1378 0.1513
Plasmodium vivax aspartyl protease, putative 0.0039 0.0216 0.5
Onchocerca volvulus 0.0151 0.1378 0.7969
Loa Loa (eye worm) hypothetical protein 0.0151 0.1378 0.1513
Toxoplasma gondii aspartyl protease ASP3 0.0039 0.0216 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0216 0.0238
Plasmodium falciparum plasmepsin III 0.0039 0.0216 0.5
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0039 0.0216 0.5
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0185 0.1729 0.1899
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0216 0.0216
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0216 0.0216
Trichomonas vaginalis spcc417.12 protein, putative 0.0151 0.1378 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0151 0.1378 1
Plasmodium vivax plasmepsin IV, putative 0.0039 0.0216 0.5
Loa Loa (eye worm) aspartyl protease 6 0.0039 0.0216 0.0238
Loa Loa (eye worm) hypothetical protein 0.0151 0.1378 0.1513
Brugia malayi hypothetical protein 0.0039 0.0216 0.0238
Onchocerca volvulus 0.0151 0.1378 0.7969
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0216 0.0216
Echinococcus multilocularis carboxylesterase 5A 0.0896 0.9103 1
Plasmodium falciparum plasmepsin X 0.0039 0.0216 0.5
Echinococcus granulosus neuroligin 0.0151 0.1378 0.1513
Echinococcus granulosus acetylcholinesterase 0.0896 0.9103 1
Echinococcus multilocularis acetylcholinesterase 0.0896 0.9103 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0151 0.1378 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0151 0.1378 0.1378
Plasmodium falciparum plasmepsin VIII, putative 0.0039 0.0216 0.5
Schistosoma mansoni cathepsin D (A01 family) 0.0039 0.0216 0.0216
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0216 0.0216
Brugia malayi Carboxylesterase family protein 0.0151 0.1378 0.1513
Loa Loa (eye worm) hypothetical protein 0.0039 0.0216 0.0238
Loa Loa (eye worm) hypothetical protein 0.0151 0.1378 0.1513
Schistosoma mansoni cathepsin D (A01 family) 0.0039 0.0216 0.0216
Toxoplasma gondii aspartyl protease 0.0039 0.0216 0.5
Plasmodium falciparum plasmepsin IV 0.0039 0.0216 0.5
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0039 0.0216 0.0238
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0151 0.1378 0.5
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0039 0.0216 0.0238
Plasmodium falciparum plasmepsin IX 0.0039 0.0216 0.5

Activities

Activity type Activity value Assay description Source Reference
T/C (functional) = 110 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 25 mg/kg i.p. ChEMBL. 7452684
T/C (functional) = 110 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 25 mg/kg i.p. ChEMBL. 7452684
T/C (functional) = 112 % Antitumor activity against P-388 Leukemia in female BDF1 mice expressed as percent T/C at dose 50 mg/kg ChEMBL. 7452684
T/C (functional) = 112 % Antitumor activity against P-388 Leukemia in female BDF1 mice expressed as percent T/C at dose 50 mg/kg ChEMBL. 7452684
T/C (functional) = 116 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 100 mg/kg i.p. ChEMBL. 7452684
T/C (functional) = 116 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 100 mg/kg i.p. ChEMBL. 7452684
T/C (functional) = 169 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 200 mg/kg i.p. ChEMBL. 7452684
T/C (functional) = 169 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 200 mg/kg i.p. ChEMBL. 7452684

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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