Detailed information for compound 2070887

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.317 | Formula: C14H18N4O4
  • H donors: 2 H acceptors: 2 LogP: 0.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1oc(c2c1c(=O)[nH]nc2C)C)CN1CCOCC1
  • InChi: 1S/C14H18N4O4/c1-8-11-9(2)22-14(12(11)13(20)17-16-8)15-10(19)7-18-3-5-21-6-4-18/h3-7H2,1-2H3,(H,15,19)(H,17,20)
  • InChiKey: ZVBAICDDCDZEJN-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
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0086 0.2667 0.4558
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.007 0.007
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0022 0.035 0.0362
Onchocerca volvulus 0.0039 0.0968 0.1051
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.002 0.0272 0.0465
Trypanosoma brucei unspecified product 0.0014 0.0033 0.0057
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0022 0.035 0.0598
Echinococcus multilocularis DNA methyltransferase 2, putative 0.002 0.0272 0.0465
Loa Loa (eye worm) hypoxia-induced factor 1 0.0264 0.919 0.919
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0229 0.0392
Onchocerca volvulus 0.0027 0.0529 0.0303
Brugia malayi manba-prov protein 0.0275 0.96 0.96
Brugia malayi chromobox protein homolog 3 0.004 0.0988 0.0988
Schistosoma mansoni glutaminase 0.0278 0.9678 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0022 0.035 0.0598
Trichomonas vaginalis guanylate cyclase, putative 0.0022 0.035 0.0362
Toxoplasma gondii hypothetical protein 0.0086 0.2678 0.4576
Brugia malayi intermediate filament protein 0.0027 0.0529 0.0529
Loa Loa (eye worm) glutaminase 2 0.0278 0.9678 0.9678
Echinococcus multilocularis dna polymerase kappa 0.002 0.0256 0.0437
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0229 0.0392
Leishmania major DNA polymerase eta, putative 0.0032 0.0707 0.1208
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0229 0.0392
Treponema pallidum phosphoglycerate kinase 0.0173 0.5852 1
Giardia lamblia Phosphoglycerate kinase 0.0173 0.5852 1
Entamoeba histolytica hypothetical protein 0.0025 0.045 0.0769
Brugia malayi PAS domain containing protein 0.0085 0.2658 0.2658
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.002 0.0272 0.0465
Echinococcus multilocularis beta mannosidase 0.0116 0.3761 0.6426
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0063 0.1857 0.3173
Echinococcus multilocularis disco interacting protein 2 0.0039 0.0968 0.1655
Loa Loa (eye worm) glutaminase 0.0278 0.9678 0.9678
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0256 0.0437
Entamoeba histolytica hypothetical protein 0.0025 0.045 0.0769
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0173 0.5852 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0988 0.1021
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.002 0.0272 0.0465
Schistosoma mansoni thyroid hormone receptor 0.0137 0.4527 0.4677
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0017 0.0029
Echinococcus multilocularis chromobox protein 1 0.0071 0.2124 0.3629
Onchocerca volvulus 0.0063 0.1847 0.2544
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0256 0.0437
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0022 0.035 0.0598
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.4156 0.7102
Schistosoma mansoni chromobox protein 0.0071 0.2124 0.2194
Schistosoma mansoni cpg binding protein 0.0034 0.0782 0.0808
Entamoeba histolytica hypothetical protein 0.0025 0.045 0.0769
Trichomonas vaginalis chromobox protein, putative 0.0071 0.2124 0.2194
Onchocerca volvulus 0.0034 0.0782 0.0735
Brugia malayi Cytochrome P450 family protein 0.0017 0.016 0.016
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0256 0.0437
Toxoplasma gondii exonuclease III APE 0.0019 0.0229 0.0392
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0529 0.0529
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.002 0.0272 0.0465
Trichomonas vaginalis glycoside hydrolase, putative 0.016 0.5379 0.5558
Echinococcus granulosus phosphoglycerate kinase 1 0.0173 0.5852 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0256 0.0437
Echinococcus multilocularis lamin dm0 0.0027 0.0529 0.0903
Brugia malayi N-terminal motif family protein 0.0183 0.6235 0.6235
Echinococcus granulosus cpg binding protein 0.0034 0.0782 0.1337
Onchocerca volvulus 0.0027 0.0529 0.0303
Trypanosoma brucei phosphoglycerate kinase 0.0063 0.1857 0.3173
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0229 0.0229
Echinococcus multilocularis lamin 0.0027 0.0529 0.0903
Echinococcus granulosus DNA methyltransferase 2, putative 0.002 0.0272 0.0465
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0707 0.1208
Echinococcus multilocularis transfer RNA-Lys 0.0063 0.1847 0.3157
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0256 0.0046
Brugia malayi CXXC zinc finger family protein 0.0034 0.0782 0.0782
Schistosoma mansoni ap endonuclease 0.0019 0.0229 0.0237
Echinococcus multilocularis chromobox protein 1 0.0071 0.2124 0.3629
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0229 0.0392
Trypanosoma brucei unspecified product 0.0014 0.0033 0.0057
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0256 0.0028
Loa Loa (eye worm) hypothetical protein 0.0183 0.6235 0.6235
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.12 0.2051
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0256 0.0437
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0022 0.035 0.0362
Toxoplasma gondii DNA methyltransferase 2, putative 0.002 0.0272 0.0465
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0256 0.0437
Echinococcus multilocularis phosphoglycerate kinase 1 0.0173 0.5852 1
Brugia malayi bHLH-PAS transcription factor 0.0063 0.1847 0.1847
Giardia lamblia DINP protein human, muc B family 0.002 0.0256 0.0437
Schistosoma mansoni hypothetical protein 0.0126 0.4156 0.4294
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0022 0.035 0.0598
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0256 0.0028
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0256 0.0256
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0022 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0031 0.0675 0.0675
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0086 0.2667 0.4558
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.1098 0.1271
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0022 0.035 0.0598
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.016 0.016
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.4156 0.7102
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.12 0.12
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0063 0.1857 0.3173
Brugia malayi Disco-interacting protein 2 homolog 0.0039 0.0968 0.0968
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0256 0.0437
Brugia malayi Heterochromatin protein 1 0.0071 0.2124 0.2124
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0256 0.0437
Plasmodium falciparum phosphoglycerate kinase 0.0173 0.5852 1
Leishmania major phosphoglycerate kinase C, glycosomal 0.0173 0.5852 1
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0022 0.035 0.0598
Brugia malayi hypothetical protein 0.0025 0.045 0.045
Brugia malayi hypoxia-induced factor 1 0.0264 0.919 0.919
Echinococcus granulosus lamin 0.0027 0.0529 0.0903
Schistosoma mansoni single-minded 0.0085 0.2658 0.2746
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0173 0.5852 0.6046
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.035 0.0362
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0173 0.5852 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0256 0.0437
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0256 0.0437
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0022 0.035 0.0362
Loa Loa (eye worm) hypothetical protein 0.0013 0.0017 0.0017
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0782 0.0782
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0173 0.5852 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0529 0.0546
Echinococcus multilocularis dna polymerase eta 0.0045 0.12 0.2051
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.6235 1
Loa Loa (eye worm) manba-prov protein 0.0116 0.3761 0.3761
Echinococcus multilocularis cpg binding protein 0.0034 0.0782 0.1337
Leishmania major protein kinase, putative 0.0022 0.035 0.0598
Trichomonas vaginalis beta-galactosidase, putative 0.016 0.5379 0.5558
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0256 0.0437
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0707 0.1208
Schistosoma mansoni lamin 0.0027 0.0529 0.0546
Leishmania major phosphoglycerate kinase B, cytosolic 0.0173 0.5852 1
Schistosoma mansoni thyroid hormone receptor 0.0137 0.4527 0.4677
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0173 0.5852 1
Schistosoma mansoni transcription factor LCR-F1 0.0025 0.045 0.0465
Trichomonas vaginalis chromobox protein, putative 0.0043 0.1098 0.1135
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0025 0.045 0.0769
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.035 0.0362
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0017 0.0029
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0039 0.0968 0.1001
Plasmodium vivax phosphoglycerate kinase, putative 0.0173 0.5852 1
Echinococcus multilocularis musashi 0.0027 0.0529 0.0903
Mycobacterium ulcerans glutaminase 0.0278 0.9678 1
Trichomonas vaginalis glutaminase, putative 0.0278 0.9678 1
Leishmania major protein kinase, putative 0.0026 0.0495 0.0845
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Leishmania major modification methylase-like protein 0.002 0.0272 0.0465
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0025 0.045 0.0769
Brugia malayi Phosphoglycerate kinase 0.0063 0.1857 0.1857
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0063 0.1857 0.3173
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0229 0.0392
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0229 0.0392
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0256 0.0264
Brugia malayi glutaminase DH11.1 0.0278 0.9678 0.9678
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0173 0.5852 1
Entamoeba histolytica phosphoglycerate kinase, putative 0.0173 0.5852 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0033 0.0057
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0256 0.0437
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.002 0.0272 0.0465
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0529 0.0529
Trypanosoma brucei unspecified product 0.002 0.0256 0.0437
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0022 0.035 0.0362
Brugia malayi Phosphoglycerate kinase 0.0173 0.5852 0.5852
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.035 0.0362
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0022 0.035 0.0362
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.002 0.0272 0.0281
Chlamydia trachomatis phosphoglycerate kinase 0.0173 0.5852 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0086 0.2667 0.4558
Schistosoma mansoni cpg binding protein 0.0034 0.0782 0.0808
Echinococcus granulosus single minded 2 0.0063 0.1847 0.3157
Loa Loa (eye worm) hypothetical protein 0.0045 0.12 0.12
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0229 0.0392
Echinococcus multilocularis aryl hydrocarbon receptor 0.0022 0.035 0.0598
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0256 0.0437
Entamoeba histolytica hypothetical protein 0.0025 0.045 0.0769
Leishmania major DNA polymerase eta, putative 0.0045 0.12 0.2051
Schistosoma mansoni hypothetical protein 0.0025 0.045 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0565 0.0584
Mycobacterium ulcerans phosphoglycerate kinase 0.0173 0.5852 0.595
Echinococcus multilocularis thyroid hormone receptor alpha 0.0137 0.4527 0.7735
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.12 0.2051
Loa Loa (eye worm) hypothetical protein 0.0027 0.0529 0.0529
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0256 0.0437
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0256 0.0256
Schistosoma mansoni aryl hydrocarbon receptor 0.0085 0.2658 0.2746
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0256 0.0264
Schistosoma mansoni phosphoglycerate kinase 0.0173 0.5852 0.6046
Schistosoma mansoni beta-mannosidase 0.0116 0.3761 0.3886
Loa Loa (eye worm) beta-glucuronidase 0.016 0.5379 0.5379
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0256 0.0437
Schistosoma mansoni DNA polymerase eta 0.0045 0.12 0.124
Mycobacterium ulcerans putative regulatory protein 0.0063 0.1847 0.1712
Echinococcus granulosus disco interacting protein 2 0.0039 0.0968 0.1655
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0529 0.0529
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0256 0.0437
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0256 0.0437
Echinococcus granulosus chromobox protein 1 0.0071 0.2124 0.3629
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0988 0.1021
Echinococcus granulosus chromobox protein 1 0.0071 0.2124 0.3629
Loa Loa (eye worm) hypothetical protein 0.004 0.0988 0.0988
Trichomonas vaginalis conserved hypothetical protein 0.016 0.5379 0.5558
Trichomonas vaginalis adenylate cyclase, putative 0.0022 0.035 0.0362
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0033 0.0057
Trypanosoma brucei phosphoglycerate kinase, putative 0.0063 0.1857 0.3173
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0229 0.0392
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0988 0.1084
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0033 0.0057
Trypanosoma brucei phosphoglycerate kinase 0.0173 0.5852 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0229 0.0237
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.007 0.007
Echinococcus granulosus intermediate filament protein 0.0027 0.0529 0.0903
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0565 0.0584
Trypanosoma brucei phosphoglycerate kinase 0.0173 0.5852 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0256 0.0046
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0256 0.0437
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0256 0.0264
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0173 0.5852 1
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.2124 0.2124
Loa Loa (eye worm) hypothetical protein 0.0027 0.0511 0.0511
Brugia malayi Beta-glucuronidase precursor 0.016 0.5379 0.5379
Schistosoma mansoni cpg binding protein 0.0034 0.0782 0.0808
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0086 0.2678 0.4576
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0256 0.0437
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0256 0.0437
Schistosoma mansoni ap endonuclease 0.0019 0.0229 0.0237
Schistosoma mansoni lamin 0.0027 0.0529 0.0546
Echinococcus granulosus lamin dm0 0.0027 0.0529 0.0903
Leishmania major DNA polymerase kappa, putative 0.002 0.0256 0.0437
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0229 0.0392
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0173 0.5852 0.6046
Echinococcus granulosus dna polymerase eta 0.0045 0.12 0.2051
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0173 0.5852 1
Trichomonas vaginalis beta-mannosidase, putative 0.0116 0.3761 0.3886
Trichomonas vaginalis chromobox protein, putative 0.0071 0.2124 0.2194
Loa Loa (eye worm) hypothetical protein 0.0039 0.0968 0.0968
Schistosoma mansoni chromobox protein 0.0071 0.2124 0.2194
Loa Loa (eye worm) hypothetical protein 0.0173 0.5852 0.5852
Echinococcus granulosus aryl hydrocarbon receptor 0.0022 0.035 0.0598
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0256 0.0264
Loa Loa (eye worm) hypothetical protein 0.0022 0.035 0.035
Trichomonas vaginalis guanylate cyclase, putative 0.0022 0.035 0.0362
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0256 0.0437
Trichomonas vaginalis chromobox protein, putative 0.0043 0.1098 0.1135
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0229 0.0392
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0229 0.0229
Schistosoma mansoni phosphoglycerate kinase 0.0173 0.5852 0.6046
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0256 0.0437
Echinococcus granulosus beta mannosidase 0.0116 0.3761 0.6426
Onchocerca volvulus 0.0031 0.0675 0.0553
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0229 0.0237

Activities

No activities found for this compound.

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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