Detailed information for compound 513435

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.386 | Formula: C19H19N5O3
  • H donors: 4 H acceptors: 4 LogP: 2.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Nc1cn(nc1C(=O)N)c1ccc(cc1)c1cc(C)c(c(c1)C)O
  • InChi: 1S/C19H19N5O3/c1-10-7-13(8-11(2)17(10)25)12-3-5-14(6-4-12)24-9-15(22-19(21)27)16(23-24)18(20)26/h3-9,25H,1-2H3,(H2,20,26)(H3,21,22,27)
  • InChiKey: BPBKICHTDUGKBZ-UHFFFAOYSA-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
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.3023 1
Echinococcus multilocularis dna polymerase eta 0.0077 0.2974 0.4302
Plasmodium falciparum flap endonuclease 1 0.0026 0.0699 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0663 0.4775
Onchocerca volvulus 0.0236 1 0.5
Schistosoma mansoni ets 0.001 0.0026 0.0028
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0255 0.0255
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0699 1
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0699 0.3242
Brugia malayi Ets-domain containing protein 0.0071 0.2709 0.2709
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0254 0.0254
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0699 0.2011
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0611 0.1673
Brugia malayi transcription factor E74 isoform 0.001 0.0026 0.0026
Schistosoma mansoni elf1 0.001 0.0026 0.0028
Trichomonas vaginalis DNA polymerase eta, putative 0.0078 0.3023 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0663 0.1852
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0699 0.1011
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.3023 1
Echinococcus granulosus bloom syndrome protein 0.0024 0.0611 0.0884
Trypanosoma cruzi DNA damage repair protein, putative 0.0016 0.0284 0.0546
Loa Loa (eye worm) hypothetical protein 0.0077 0.2974 0.2974
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0254 0.0254
Loa Loa (eye worm) D-ets-2 protein 0.001 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0061 0.2254 0.2254
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2316 0.2545
Entamoeba histolytica deoxycytidyl transferase, putative 0.0052 0.187 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0023 0.057 0.4108
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0611 0.0611
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0611 0.1673
Schistosoma mansoni ets-related 0.001 0.0026 0.0028
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0699 0.1977
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0274 0.0422
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0255 0.0369
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0699 0.3284
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.3023 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0255 0.0369
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0699 0.5036
Entamoeba histolytica hypothetical protein 0.0035 0.113 0.5753
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0254 0.0368
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.3023 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0254 0.0368
Loa Loa (eye worm) hypothetical protein 0.001 0.0026 0.0026
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0052 0.187 0.2705
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1437 0.4524
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.2156 0.7009
Trypanosoma brucei DNA damage repair protein, putative 0.0016 0.0284 0.0546
Echinococcus multilocularis GPCR, family 2 0.0015 0.0254 0.0368
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0255 0.1838
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0059 0.2156 1
Brugia malayi Fli-1 protein 0.0216 0.9098 0.9098
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0611 0.0884
Trypanosoma brucei DNA damage repair protein, putative 0.0016 0.0284 0.0546
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.113 0.1242
Loa Loa (eye worm) hypothetical protein 0.0033 0.1047 0.1047
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2316 0.2316
Loa Loa (eye worm) hypothetical protein 0.0015 0.0254 0.0254
Schistosoma mansoni DNA polymerase IV / kappa 0.0016 0.0284 0.0313
Trypanosoma cruzi DNA polymerase kappa, putative 0.0078 0.3023 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0016 0.0284 0.2048
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0254 0.0368
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0254 0.0254
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.2974 0.9833
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.3023 1
Loa Loa (eye worm) RecQ helicase 0.0024 0.0611 0.0611
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0284 0.0546
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0663 0.9482
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0663 0.1852
Leishmania major hypothetical protein, conserved 0.0025 0.0663 0.1884
Echinococcus granulosus tar DNA binding protein 0.0062 0.2316 0.3349
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1731 0.1731
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2316 0.2545
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1442 0.4544
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1731 0.1731
Echinococcus granulosus ETS domain containing protein Elk 1 0.001 0.0026 0.0037
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.3023 1
Loa Loa (eye worm) fli-1 protein 0.0216 0.9098 0.9098
Schistosoma mansoni DNA polymerase eta 0.0077 0.2974 0.3269
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.3023 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.4744 0.4744
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0663 0.9184
Echinococcus granulosus dna polymerase eta 0.0077 0.2974 0.4302
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.0284 0.0546
Echinococcus multilocularis protein C ets 2 0.001 0.0026 0.0037
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0699 0.0699
Echinococcus granulosus ETS transcription factor Elf 2 0.001 0.0026 0.0037
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.001 0.0026 0.0028
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.3023 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0255 0.0255
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0255 0.0369
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.006 0.0087
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.006 0.0087
Giardia lamblia DNA damage repair protein 0.0016 0.0284 0.1319
Schistosoma mansoni hypothetical protein 0.0035 0.113 0.1242
Trypanosoma brucei unspecified product 0.0036 0.1157 0.3557
Echinococcus granulosus flap endonuclease 1 0.0026 0.0699 0.1011
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0052 0.187 0.2056
Echinococcus multilocularis geminin 0.0166 0.6914 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1442 0.4544
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0255 0.0445
Schistosoma mansoni hypothetical protein 0.0011 0.006 0.0066
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2316 0.2316
Schistosoma mansoni hypothetical protein 0.001 0.0026 0.0028
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2316 0.2316
Echinococcus multilocularis ETS transcription factor Elf 5 0.001 0.0026 0.0037
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0255 0.3651
Trypanosoma cruzi DNA polymerase kappa, putative 0.0078 0.3023 1
Schistosoma mansoni hypothetical protein 0.0015 0.0254 0.0279
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1047 0.1047
Plasmodium falciparum DNA repair protein REV1, putative 0.0016 0.0284 0.4068
Schistosoma mansoni terminal deoxycytidyl transferase 0.0052 0.187 0.2056
Echinococcus granulosus ewsr:fli fusion protein type 0.001 0.0026 0.0037
Trypanosoma brucei DNA polymerase IV, putative 0.0078 0.3023 1
Brugia malayi MH2 domain containing protein 0.0117 0.4744 0.4744
Mycobacterium ulcerans DNA polymerase IV 0.0078 0.3023 1
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.0284 0.0546
Trypanosoma brucei DNA polymerase IV, putative 0.0078 0.3023 1
Echinococcus multilocularis ets variant gene 4 0.001 0.0026 0.0037
Schistosoma mansoni hypothetical protein 0.001 0.0026 0.0028
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2316 0.3349
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2316 0.2545
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0255 0.0445
Brugia malayi hypothetical protein 0.0016 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0042 0.1437 0.1437
Entamoeba histolytica hypothetical protein 0.0035 0.113 0.5753
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.113 0.1634
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.2974 0.9833
Echinococcus multilocularis ETS transcription factor Elf 2 0.001 0.0026 0.0037
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.2974 0.2974
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0255 0.0445
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0663 0.1852
Loa Loa (eye worm) hypothetical protein 0.0049 0.1731 0.1731
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2316 0.2545
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1442 0.4544
Plasmodium vivax DNA repair protein REV1, putative 0.0016 0.0284 0.0657
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0699 0.1977
Trypanosoma brucei chrX additional, unordered contigs 0.0016 0.0284 0.0546
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0255 0.0445
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0392 0.0431
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0052 0.187 0.2705
Echinococcus multilocularis ETS transcription factor Elf 2 0.001 0.0026 0.0037
Entamoeba histolytica hypothetical protein 0.0035 0.113 0.5753
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0255 0.0369
Loa Loa (eye worm) hypothetical protein 0.0025 0.0663 0.0663
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.001 0.0026 0.0026
Schistosoma mansoni hypothetical protein 0.0033 0.1047 0.1151
Brugia malayi isocitrate dehydrogenase 0.0016 0.0255 0.0255
Schistosoma mansoni hypothetical protein 0.0015 0.0254 0.0279
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0254 0.0368
Echinococcus granulosus ETS transcription factor Elf 5 0.001 0.0026 0.0037
Schistosoma mansoni gabp alpha 0.0071 0.2709 0.2977
Trypanosoma brucei unspecified product 0.0036 0.1157 0.3557
Schistosoma mansoni hypothetical protein 0.0166 0.6914 0.7599
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0255 0.0453
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0663 0.9482
Leishmania major DNA damage repair protein, putative 0.0016 0.0284 0.0555
Mycobacterium ulcerans DNA polymerase IV 0.0078 0.3023 1
Brugia malayi DNA-binding protein D-ETS-3 0.001 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0119 0.4807 0.4807
Brugia malayi Ets-domain containing protein 0.0071 0.2709 0.2709
Schistosoma mansoni ets-related 0.0216 0.9098 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.1388 0.4357
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.113 0.1634
Trypanosoma brucei DNA polymerase IV, putative 0.0072 0.2737 0.9013
Leishmania major DNA polymerase kappa, putative 0.0059 0.2156 0.7128
Entamoeba histolytica hypothetical protein 0.0035 0.113 0.5753
Brugia malayi polk-prov protein 0.0042 0.1437 0.1437
Brugia malayi ImpB/MucB/SamB family protein 0.0052 0.187 0.187
Trypanosoma brucei unspecified product 0.0072 0.2737 0.9013
Giardia lamblia DINP protein human, muc B family 0.0059 0.2156 1
Echinococcus granulosus GPCR family 2 0.0015 0.0254 0.0368
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0052 0.187 0.187
Schistosoma mansoni hypothetical protein 0.0166 0.6914 0.7599
Leishmania major DNA polymerase eta, putative 0.0077 0.2974 1
Brugia malayi RNA binding protein 0.0062 0.2316 0.2316
Mycobacterium tuberculosis Conserved hypothetical protein 0.0052 0.187 0.8496
Loa Loa (eye worm) hypothetical protein 0.001 0.0026 0.0026
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.4744 0.4744
Echinococcus multilocularis ETS transcription factor Elf 1 0.001 0.0026 0.0037
Schistosoma mansoni flap endonuclease-1 0.0023 0.0591 0.0649
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0255 0.1838
Echinococcus granulosus dna polymerase kappa 0.0078 0.3023 0.4372
Brugia malayi hypothetical protein 0.0025 0.0663 0.0663
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1437 0.4524
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0699 0.1977
Brugia malayi Ets-domain containing protein 0.001 0.0026 0.0026
Brugia malayi Flap endonuclease-1 0.0026 0.0699 0.0699
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.2709 0.3918
Loa Loa (eye worm) ets-domain-containing protein 0.001 0.0026 0.0026
Leishmania major DNA polymerase kappa, putative 0.0016 0.0284 0.0555
Brugia malayi TAR-binding protein 0.0062 0.2316 0.2316
Echinococcus granulosus ETS transcription factor Elf 1 0.001 0.0026 0.0037
Echinococcus multilocularis dna polymerase kappa 0.0078 0.3023 0.4372
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.3023 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0255 0.0369
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0041 0.1388 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1731 0.1731
Trypanosoma cruzi DNA polymerase kappa, putative 0.0078 0.3023 1
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.001 0.0026 0.0026
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0255 0.0281
Trypanosoma cruzi DNA polymerase kappa, putative 0.0078 0.3023 1
Schistosoma mansoni hypothetical protein 0.0015 0.0254 0.0279
Brugia malayi hypothetical protein 0.0035 0.113 0.113
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0485 0.6931
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.2709 0.3918
Trypanosoma cruzi DNA damage repair protein, putative 0.0016 0.0284 0.0546
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0059 0.2156 0.7128
Schistosoma mansoni hypothetical protein 0.0015 0.0254 0.0279
Echinococcus granulosus protein C ets 2 0.001 0.0026 0.0037
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0266 0.1913
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.2709 0.2709
Leishmania major DNA polymerase eta, putative 0.0041 0.1388 0.4431
Echinococcus multilocularis ewsr:fli fusion protein type 0.001 0.0026 0.0037
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0284 0.0546
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0255 0.0369
Echinococcus multilocularis ETS domain containing protein Elk 1 0.001 0.0026 0.0037
Loa Loa (eye worm) RNA binding protein 0.0062 0.2316 0.2316
Loa Loa (eye worm) pax transcription factor protein 2 0.0236 1 1
Echinococcus granulosus ETS transcription factor Elf 2 0.001 0.0026 0.0037
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0078 0.3023 1
Echinococcus granulosus geminin 0.0166 0.6914 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2316 0.2545

Activities

Activity type Activity value Assay description Source Reference
permeability (ADMET) = 3 10^-6 cm/s Permeability across dog MDCK cells expressing MRP2 ChEMBL. 17371800
Ratio (ADMET) = 0.49 Ratio of permeability from basolateral to apical side over apical to basolateral side of human Caco2 cell membrane at 10 uM ChEMBL. 17371800

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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