Detailed information for compound 305657

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.393 | Formula: C19H21FN4O4
  • H donors: 1 H acceptors: 2 LogP: 1.61 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/N=C(\c1ccn(c1)c1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C)/C
  • InChi: 1S/C19H21FN4O4/c1-12(22-27-3)14-6-7-23(10-14)18-5-4-15(8-17(18)20)24-11-16(28-19(24)26)9-21-13(2)25/h4-8,10,16H,9,11H2,1-3H3,(H,21,25)/b22-12-/t16-/m0/s1
  • InChiKey: JTWYRPMSLPKZBC-BDQMVGTNSA-N  


Substructure search Similarity search

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 metabotropic glutamate receptor type 2 0.0054 0.0297 0.1797
Trypanosoma brucei PAB1-binding protein , putative 0.0023 0.0088 0.1856
Leishmania major hypothetical protein, conserved 0.0023 0.0088 1
Schistosoma mansoni tyrosine kinase 0.0105 0.0636 0.3855
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0029 0.0287
Echinococcus granulosus insulin receptor 0.0105 0.0636 0.6387
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0088 0.2525
Brugia malayi TAR-binding protein 0.0059 0.0328 0.1987
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0029 0.0032
Brugia malayi Metabotropic glutamate receptor precursor. 0.0111 0.0683 0.4139
Brugia malayi CXXC zinc finger family protein 0.0027 0.011 0.0666
Schistosoma mansoni tyrosine kinase 0.0105 0.0636 0.3855
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0029 0.0173
Echinococcus multilocularis bifunctional polynucleotide 0.0062 0.0348 0.0393
Schistosoma mansoni glutaminase 0.0254 0.1651 1
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0011 0.0006 0.0164
Trypanosoma cruzi polynucleotide kinase 3'-phosphatase, putative 0.0062 0.0348 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0243 0.1472
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0348 1
Trichomonas vaginalis glutaminase, putative 0.0254 0.1651 0.5
Mycobacterium ulcerans glutaminase 0.0254 0.1651 0.1404
Trypanosoma cruzi polynucleotide kinase 3'-phosphatase, putative 0.0062 0.0348 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0035
Mycobacterium ulcerans imidazoleglycerol-phosphate dehydratase 0.1488 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0029 0.0822
Brugia malayi Furin-like cysteine rich region family protein 0.0048 0.0251 0.1519
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0028 0.0032
Echinococcus granulosus geminin 0.0158 0.0996 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0029 0.0032
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0028 0.0285
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0028 0.0172
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0059 0.0328 0.1987
Brugia malayi hypothetical protein 0.0015 0.0032 0.0191
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0018 0.0051 0.0312
Schistosoma mansoni protein kinase 0.0011 0.0006 0.0035
Plasmodium falciparum phosphatase, putative 0.0062 0.0348 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0088 0.1856
Loa Loa (eye worm) hypothetical protein 0.0023 0.0088 0.0532
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0105 0.0636 0.6387
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0029 0.3256
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0048 0.0251 0.2518
Brugia malayi DNA 3'-phosphatase family protein 0.0062 0.0348 0.2107
Schistosoma mansoni cpg binding protein 0.0028 0.012 0.0729
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0101 0.0612 0.3709
Schistosoma mansoni hypothetical protein 0.0015 0.0028 0.0172
Echinococcus granulosus receptor type guanylyl cyclase 0.0011 0.0006 0.0057
Loa Loa (eye worm) hypothetical protein 0.0029 0.0122 0.0741
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0328 0.1987
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0127 0.0787 0.4765
Brugia malayi glutaminase DH11.1 0.0254 0.1651 1
Loa Loa (eye worm) TAR-binding protein 0.0059 0.0328 0.1987
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0046 0.0243 0.1472
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0029 0.0173
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.011 0.0676 0.04
Plasmodium vivax ataxin-2 like protein, putative 0.0023 0.0088 0.1856
Echinococcus granulosus bifunctional polynucleotide 0.0062 0.0348 0.3492
Schistosoma mansoni hypothetical protein 0.0015 0.0028 0.0172
Loa Loa (eye worm) glutamate receptor 0.0044 0.0226 0.1368
Echinococcus multilocularis receptor type guanylyl cyclase 0.0011 0.0006 0.0006
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0028 0.0172
Trypanosoma brucei beta lactamase 0.0053 0.0288 0.8117
Onchocerca volvulus Bifunctional polynucleotide phosphatase\/kinase homolog 0.0062 0.0348 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0028 0.0172
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0088 0.2525
Echinococcus multilocularis tyrosine kinase 0.0011 0.0006 0.0006
Echinococcus granulosus metabotropic glutamate receptor 5 0.0137 0.0858 0.8606
Echinococcus granulosus tyrosine kinase 0.0011 0.0006 0.0057
Schistosoma mansoni tyrosine kinase 0.0048 0.0251 0.1519
Schistosoma mansoni metabotropic glutamate receptor 0.0054 0.0297 0.1797
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0029 0.0122 0.0741
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0 0.0003
Brugia malayi Protein kinase domain containing protein 0.0058 0.032 0.1941
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.011 0.0676 0.065
Schistosoma mansoni hypothetical protein 0.0011 0 0.0002
Echinococcus granulosus GPCR family 2 0.0015 0.0028 0.0285
Schistosoma mansoni tyrosine kinase 0.0048 0.0251 0.1519
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0053 0.0288 0.026
Brugia malayi Protein kinase domain containing protein 0.0105 0.0636 0.3855
Trypanosoma brucei polynucleotide kinase 3'-phosphatase, putative 0.0062 0.0348 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0028 0.0285
Loa Loa (eye worm) TK/INSR protein kinase 0.0105 0.0636 0.3855
Loa Loa (eye worm) TK/EGFR protein kinase 0.0048 0.0251 0.1519
Schistosoma mansoni cpg binding protein 0.0027 0.011 0.0666
Loa Loa (eye worm) hypothetical protein 0.0062 0.0348 0.2107
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0137 0.0858 0.0968
Schistosoma mansoni hypothetical protein 0.0015 0.0028 0.0172
Loa Loa (eye worm) RNA binding protein 0.0059 0.0328 0.1987
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0328 0.1987
Brugia malayi Guanylyl cyclase protein 23 0.0011 0.0006 0.0035
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0018 0.0051 0.148
Toxoplasma gondii LsmAD domain-containing protein 0.0023 0.0088 0.2436
Loa Loa (eye worm) glutamate receptor 0.0111 0.0683 0.4139
Brugia malayi hypothetical protein 0.0023 0.0088 0.0532
Loa Loa (eye worm) RGC/RGC protein kinase 0.0011 0.0006 0.0035
Schistosoma mansoni tyrosine kinase 0.0011 0.0006 0.0035
Schistosoma mansoni tyrosine kinase 0.0047 0.0245 0.1485
Echinococcus multilocularis tar DNA binding protein 0.0059 0.0328 0.037
Schistosoma mansoni hypothetical protein 0.0018 0.0051 0.0312
Echinococcus multilocularis GPCR, family 2 0.0015 0.0028 0.0032
Onchocerca volvulus 0.0027 0.011 0.3161
Loa Loa (eye worm) hypothetical protein 0.0015 0.0028 0.0172
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0029 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0328 0.1987
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.132 0.886 1
Schistosoma mansoni tyrosine kinase 0.0047 0.0245 0.1485
Echinococcus multilocularis insulin receptor 0.0105 0.0636 0.0718
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0029 0.0032
Entamoeba histolytica polynucleotide kinase-3-phosphatase, putative 0.0062 0.0348 1
Echinococcus multilocularis epidermal growth factor receptor 0.0048 0.0251 0.0283
Echinococcus multilocularis epidermal growth factor receptor 0.0048 0.0251 0.0283
Loa Loa (eye worm) CXXC zinc finger family protein 0.0027 0.011 0.0666
Echinococcus multilocularis GPCR, family 3, C terminal 0.0018 0.0051 0.0058
Toxoplasma gondii histone lysine methyltransferase SET1 0.0051 0.0272 1
Echinococcus granulosus epidermal growth factor receptor 0.0048 0.0251 0.2518
Echinococcus granulosus epidermal growth factor receptor 0.0048 0.0251 0.2518
Plasmodium vivax phosphatase, putative 0.0062 0.0348 1
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0328 0.1987
Schistosoma mansoni hypothetical protein 0.0158 0.0996 0.6035
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0029 0.0032
Brugia malayi isocitrate dehydrogenase 0.0015 0.0029 0.0173
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0046 0.0243 0.1472
Loa Loa (eye worm) hypothetical protein 0.0137 0.0858 0.5194
Echinococcus granulosus GPCR family 3 C terminal 0.0018 0.0051 0.0517
Brugia malayi RNA binding protein 0.0059 0.0328 0.1987
Loa Loa (eye worm) hypothetical protein 0.0018 0.0051 0.0312
Brugia malayi Receptor family ligand binding region containing protein 0.0029 0.0122 0.0741
Brugia malayi Calcitonin receptor-like protein seb-1 0.0046 0.0243 0.1472
Loa Loa (eye worm) glutaminase 2 0.0254 0.1651 1
Plasmodium vivax bifunctional polynucleotide phosphatase/kinase, putative 0.0062 0.0348 1
Schistosoma mansoni tyrosine kinase 0.0047 0.0245 0.1485
Schistosoma mansoni metabotropic glutamate receptor 0.0093 0.0561 0.3397
Echinococcus multilocularis geminin 0.0158 0.0996 0.1125
Brugia malayi RNA recognition motif domain containing protein 0.0059 0.0328 0.1987
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0029 0.0173
Plasmodium falciparum bifunctional polynucleotide phosphatase/kinase 0.0062 0.0348 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0315 0.1906
Echinococcus multilocularis cpg binding protein 0.0028 0.012 0.0136
Echinococcus granulosus tar DNA binding protein 0.0059 0.0328 0.3293
Onchocerca volvulus 0.0011 0.0006 0.0164
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0028 0.0032
Loa Loa (eye worm) hypothetical protein 0.0032 0.0144 0.0871
Echinococcus multilocularis 0.0014 0.0022 0.0024
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0088 0.1856
Brugia malayi latrophilin 2 splice variant baaae 0.0032 0.0144 0.0871
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0057 0.0313 0.1895
Schistosoma mansoni tyrosine kinase 0.0011 0.0006 0.0035
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0105 0.0636 0.0718
Echinococcus granulosus cpg binding protein 0.0028 0.012 0.1207
Schistosoma mansoni cpg binding protein 0.0028 0.012 0.0729
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0029 0.0032
Brugia malayi Receptor family ligand binding region containing protein 0.0011 0.0006 0.0035
Schistosoma mansoni hypothetical protein 0.0032 0.0144 0.0871
Schistosoma mansoni tyrosine kinase 0.0048 0.0251 0.1519
Loa Loa (eye worm) glutaminase 0.0254 0.1651 1
Onchocerca volvulus Poor gastrulation protein homolog 0.0018 0.0051 0.148
Echinococcus granulosus metabotropic glutamate receptor 2 0.0093 0.0561 0.5629
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0029 0.0122 0.0741
Loa Loa (eye worm) RGC/RGC protein kinase 0.0011 0.0006 0.0035
Loa Loa (eye worm) RGC/RGC protein kinase 0.0011 0.0006 0.0035
Schistosoma mansoni hypothetical protein 0.0015 0.0028 0.0172
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0328 0.1987
Schistosoma mansoni hypothetical protein 0.0158 0.0996 0.6035
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0093 0.0561 0.0633
Mycobacterium leprae Probable imidazole glycerol-phosphate dehydratase HisB 0.0734 0.4896 1
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0348 1
Schistosoma mansoni polynucleotide kinase-3'-phosphatase 0.0062 0.0348 0.2107

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.5 ug ml-1 Inhibitory activity against S. pneumoniae UC9912 ChEMBL. 10715160
MIC (functional) = 1 ug ml-1 Inhibitory activity against Methicillin-resistant S. epidermidis UC12084 ChEMBL. 10715160
MIC (functional) = 2 ug ml-1 Inhibitory activity against Methicillin-resistant S. aureus UC6685 ChEMBL. 10715160
MIC (functional) = 2 ug ml-1 Inhibitory activity against E. faecalis UC9217 ChEMBL. 10715160
MIC (functional) = 4 ug ml-1 Inhibitory activity against Methicillin-susceptible S. aureus UC9213 ChEMBL. 10715160
MIC (functional) = 8 ug ml-1 Inhibitory activity against M. catarrhalis UC30610 ChEMBL. 10715160
MIC (functional) > 16 ug ml-1 Inhibitory activity against H. influenzae UC30063 ChEMBL. 10715160

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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