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

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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