Detailed information for compound 1570543

Basic information

Technical information
  • TDR Targets ID: 1570543
  • Name: 2-[2,4-dioxo-3-(phenylmethyl)pyrido[3,2-e]pyr imidin-1-yl]acetamide
  • MW: 310.307 | Formula: C16H14N4O3
  • H donors: 1 H acceptors: 4 LogP: 0.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Cn1c2ncccc2c(=O)n(c1=O)Cc1ccccc1
  • InChi: 1S/C16H14N4O3/c17-13(21)10-19-14-12(7-4-8-18-14)15(22)20(16(19)23)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,17,21)
  • InChiKey: VYISUYKAWWKGRW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2,4-dioxo-3-(phenylmethyl)-1-pyrido[3,2-e]pyrimidinyl]acetamide
  • 2-[3-(benzyl)-2,4-diketo-pyrido[3,2-e]pyrimidin-1-yl]acetamide
  • 2-[2,4-dioxo-3-(phenylmethyl)pyrido[3,2-e]pyrimidin-1-yl]ethanamide
  • ChemDiv3_010891
  • IDI1_028449

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.038 0.0512
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0381 0.0514
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0381 0.0514
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.1027 0.0942
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.113 0.1498
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.1089 0.1004
Toxoplasma gondii target of rapamycin (TOR), putative 0.0034 0.0668 0.1369
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0206 0.0153
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0117 0.0023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0668 0.09
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0668 0.09
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0117 0.0031
Schistosoma mansoni thymidylate kinase 0.0145 0.4141 0.4085
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0822 0.1108
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.1027 0.1274
Schistosoma mansoni hypothetical protein 0.0015 0.0101 0.0007
Chlamydia trachomatis thymidylate kinase 0.0145 0.4141 0.5
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0117 0.0033
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0747 0.0659
Echinococcus multilocularis geminin 0.0334 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0556 0.0466
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0522 0.0432
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0145 0.4141 1
Brugia malayi follicle stimulating hormone receptor 0.0235 0.6934 0.9888
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.038 0.0512
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0556 0.0466
Trypanosoma brucei ISWI complex protein 0.0015 0.0101 0.001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.074 0.0997
Mycobacterium ulcerans thymidylate kinase 0.0145 0.4141 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0668 0.09
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0328 0.0236
Brugia malayi isocitrate dehydrogenase 0.0016 0.0117 0.0033
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0145 0.4141 0.5
Treponema pallidum thymidylate kinase (tmk) 0.0145 0.4141 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0187 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0381 0.0514
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0668 0.09
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0556 0.0466
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 0.6934 0.9888
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0094 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0094 0.0127
Trypanosoma cruzi ISWI complex protein 0.0015 0.0101 0.001
Schistosoma mansoni ap endonuclease 0.0018 0.0187 0.0094
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0187 0.0135
Echinococcus granulosus thymidylate kinase 0.0145 0.4141 0.4085
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0668 0.09
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0036 0.0741 0.0883
Brugia malayi hypothetical protein 0.0036 0.0747 0.0944
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0156 0.0063
Schistosoma mansoni zinc finger protein 0.0015 0.0101 0.0007
Toxoplasma gondii exonuclease III APE 0.0018 0.0187 0.0175
Onchocerca volvulus 0.0238 0.7024 1
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0057 0.1396 0.1777
Schistosoma mansoni bromodomain containing protein 0.0064 0.16 0.1521
Trypanosoma cruzi ISWI complex protein 0.0015 0.0101 0.001
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0328 0.0236
Loa Loa (eye worm) hypothetical protein 0.0039 0.0822 0.1052
Trypanosoma cruzi thymidine kinase, putative 0.0251 0.7421 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.1027 0.1274
Plasmodium vivax thymidylate kinase, putative 0.0145 0.4141 1
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0175 0.0117
Loa Loa (eye worm) thymidylate kinase 0.0145 0.4141 0.585
Trichomonas vaginalis thymidine kinase, putative 0.0251 0.7421 1
Schistosoma mansoni thymidylate kinase 0.0145 0.4141 0.4085
Giardia lamblia GTOR 0.0045 0.1027 0.1161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0094 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.074 0.0997
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0187 0.0175
Leishmania major hypothetical protein, conserved 0.0057 0.1396 0.1777
Entamoeba histolytica hypothetical protein 0.0036 0.0747 0.0774
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.074 0.0997
Brugia malayi PHD-finger family protein 0.0025 0.0402 0.0444
Schistosoma mansoni hypothetical protein 0.0334 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0117 0.0031
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.1027 0.1274
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0117 0.0023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.1027 0.1384
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0117 0.0031
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0187 0.0127
Trypanosoma cruzi thymidylate kinase, putative 0.0145 0.4141 0.5523
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0094 0.0127
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0117 0.0033
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0156 0.0063
Brugia malayi hypothetical protein 0.0238 0.7011 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0117 0.0023
Schistosoma mansoni ap endonuclease 0.0018 0.0187 0.0094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.1027 0.1384
Loa Loa (eye worm) hypothetical protein 0.0047 0.1089 0.1438
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.1027 0.0942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0462 0.0623
Schistosoma mansoni hypothetical protein 0.0049 0.113 0.1046
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0556 0.1091
Echinococcus multilocularis zinc finger protein 0.002 0.0235 0.0142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0462 0.0623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0454 0.0612
Giardia lamblia CDC8 0.0145 0.4141 0.5465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0668 0.09
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0187 0.0252
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0145 0.4141 1
Entamoeba histolytica thymidine kinase, putative 0.0251 0.7421 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0454 0.0612
Schistosoma mansoni hypothetical protein 0.0145 0.4141 0.4085
Leishmania major thymidine kinase, putative 0.0251 0.7421 1
Trichomonas vaginalis thymidylate kinase, putative 0.0145 0.4141 0.5579
Loa Loa (eye worm) hypothetical protein 0.0238 0.7011 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.1027 0.0942
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0117 0.0023
Leishmania major hypothetical protein, conserved 0.0015 0.0101 0.001
Schistosoma mansoni hypothetical protein 0.0021 0.0268 0.0175
Entamoeba histolytica Thymidylate kinase, putative 0.0145 0.4141 0.5465
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0187 0.0252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0535 0.0721
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0187 0.0094
Trichomonas vaginalis thymidine kinase, putative 0.0251 0.7421 1
Entamoeba histolytica hypothetical protein 0.0036 0.0747 0.0774
Loa Loa (eye worm) hypothetical protein 0.0071 0.1833 0.2514
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0747 0.0659
Trypanosoma brucei thymidylate kinase, putative 0.0145 0.4141 0.5523
Trypanosoma cruzi thymidine kinase, putative 0.0251 0.7421 1
Trypanosoma brucei thymidine kinase 0.0251 0.7421 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.1027 0.1384
Trypanosoma brucei thymidylate kinase, putative 0.0145 0.4141 0.5523
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.1027 0.1274
Loa Loa (eye worm) hypothetical protein 0.0043 0.0956 0.1246
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0741 0.0883
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.1089 0.1004
Onchocerca volvulus Putative thymidylate kinase 0.0145 0.4141 0.5542
Entamoeba histolytica hypothetical protein 0.0036 0.0747 0.0774
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0747 0.0659
Loa Loa (eye worm) hypothetical protein 0.0041 0.0896 0.1159
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0187 0.0135
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0117 0.0023
Schistosoma mansoni hypothetical protein 0.0052 0.1239 0.1156
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.1489 0.1408
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.1027 0.1349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0462 0.0623
Echinococcus multilocularis thymidylate kinase 0.0145 0.4141 0.4085
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0268 0.0251
Trichomonas vaginalis thymidylate kinase, putative 0.0145 0.4141 0.5579
Trypanosoma cruzi target of rapamycin kinase 3 0.0036 0.0741 0.0883
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0668 0.09
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0187 0.0127
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0117 0.0031
Brugia malayi Bromodomain containing protein 0.0039 0.082 0.1049
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1089 0.1004
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0746 0.0658
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0117 0.0031
Brugia malayi Pre-SET motif family protein 0.003 0.0556 0.0668
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.074 0.0997
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.1027 0.1161
Schistosoma mansoni zinc finger protein 0.002 0.0235 0.0142
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0328 0.0236
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0156 0.0063
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.7011 0.6983
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.1027 0.1274
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.074 0.0997
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0287 0.0264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0094 0.0127
Echinococcus granulosus zinc finger protein 0.002 0.0235 0.0142
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1089 0.1004
Plasmodium falciparum thymidylate kinase 0.0145 0.4141 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0381 0.0514
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0117 0.0023
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.7011 0.6983
Entamoeba histolytica hypothetical protein 0.0036 0.0747 0.0774
Schistosoma mansoni hypothetical protein 0.0334 1 1
Schistosoma mansoni survival motor neuron protein 0.0049 0.113 0.1046
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0187 0.0175
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0187 0.0094
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0746 0.0658
Brugia malayi Bromodomain containing protein 0.0075 0.1967 0.2707
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0057 0.1396 0.1777
Trichomonas vaginalis thymidine kinase, putative 0.0251 0.7421 1
Brugia malayi Pre-SET motif family protein 0.0209 0.6126 0.872
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.1027 0.1349
Onchocerca volvulus 0.0049 0.113 0.0888
Trypanosoma cruzi thymidylate kinase, putative 0.0145 0.4141 0.5523
Giardia lamblia Thymidine kinase 0.0251 0.7421 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.1027 0.1161
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0117 0.0023
Schistosoma mansoni hypothetical protein 0.0036 0.0747 0.0659
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.1027 0.1274
Plasmodium vivax SET domain protein, putative 0.003 0.0556 0.1091
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.6126 0.872
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0187 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.038 0.0512
Trichomonas vaginalis set domain proteins, putative 0.0238 0.7024 0.9465
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.1489 0.1408
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0187 0.0175
Leishmania major thymidylate kinase-like protein 0.0145 0.4141 0.5523
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0565 0.0761
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0156 0.0063
Toxoplasma gondii thymidylate kinase 0.0145 0.4141 1
Brugia malayi thymidylate kinase 0.0145 0.4141 0.585

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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

No literature references available for this target.

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