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

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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