Detailed information for compound 1755096

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.356 | Formula: C13H16N4O3S
  • H donors: 3 H acceptors: 2 LogP: 0.69 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)NC(=O)Nc1scc(n1)CN)OC
  • InChi: 1S/C13H16N4O3S/c1-19-9-3-4-11(20-2)10(5-9)16-12(18)17-13-15-8(6-14)7-21-13/h3-5,7H,6,14H2,1-2H3,(H2,15,16,17,18)
  • InChiKey: VXLJNRPFJWIPIZ-UHFFFAOYSA-N  

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
Echinococcus multilocularis Smad4 0.0018 0.0032 0.0053
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 6 homolog 0.0101 0.0637 0.0528
Loa Loa (eye worm) hypothetical protein 0.054 0.3843 0.3843
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.0637 0.1171
Trypanosoma brucei GPI ethanolamine phosphate transferase 3, putative 0.0101 0.0637 0.2319
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0641 0.4579 0.8465
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0641 0.4579 0.8465
Schistosoma mansoni cellular tumor antigen P53 0.011 0.0707 0.0698
Echinococcus multilocularis beta LACTamase domain containing family member 0.0118 0.0761 0.1401
Onchocerca volvulus 0.0641 0.4579 0.4517
Onchocerca volvulus 0.0118 0.0761 0.0654
Brugia malayi beta-lactamase 0.0118 0.0761 0.0747
Schistosoma mansoni smad 0.0018 0.0032 0.0022
Leishmania major hypothetical protein, conserved 0.0027 0.01 0.0334
Loa Loa (eye worm) hypothetical protein 0.0118 0.0761 0.0761
Brugia malayi MH2 domain containing protein 0.0018 0.0032 0.0017
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0032 0.0022
Loa Loa (eye worm) hypothetical protein 0.0038 0.0175 0.0175
Onchocerca volvulus GPI ethanolamine phosphate transferase 1 homolog 0.0101 0.0637 0.0528
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0074 0.0064
Plasmodium vivax hypothetical protein, conserved 0.0118 0.0761 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.0761 0.0761
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0171 0.0156
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0074 0.013
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.01 0.0334
Echinococcus multilocularis smad 0.0018 0.0032 0.0053
Brugia malayi hypothetical protein 0.0018 0.003 0.0014
Schistosoma mansoni zinc finger protein 0.0021 0.0053 0.0043
Loa Loa (eye worm) hypothetical protein 0.0101 0.0637 0.0637
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0101 0.0637 0.0627
Echinococcus multilocularis cpg binding protein 0.0033 0.0142 0.0255
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0101 0.0637 0.0637
Brugia malayi Bromodomain containing protein 0.0075 0.0449 0.0435
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0641 0.4579 0.8465
Schistosoma mansoni hypothetical protein 0.042 0.2965 0.2958
Loa Loa (eye worm) hypothetical protein 0.004 0.0192 0.0192
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.0637 0.1171
Schistosoma mansoni hypothetical protein 0.0101 0.0637 0.0627
Schistosoma mansoni cpg binding protein 0.0033 0.0142 0.0132
Brugia malayi Bromodomain containing protein 0.0037 0.0175 0.016
Echinococcus granulosus lamin dm0 0.0029 0.0114 0.0204
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0641 0.4579 0.8465
Brugia malayi beta-lactamase family protein 0.0118 0.0761 0.0747
Loa Loa (eye worm) MH2 domain-containing protein 0.0264 0.1832 0.1832
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0026 0.004
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0118 0.0761 0.0751
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0118 0.0761 0.0761
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0101 0.0637 0.1171
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.01 0.0334
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0101 0.0637 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0641 0.4579 0.4574
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0026 0.004
Schistosoma mansoni hypothetical protein 0.002 0.0048 0.0038
Loa Loa (eye worm) hypothetical protein 0.011 0.0707 0.0707
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0385 0.2711 1
Echinococcus multilocularis musashi 0.0029 0.0114 0.0204
Echinococcus granulosus microtubule associated protein 2 0.0748 0.5362 0.9914
Schistosoma mansoni smad1 5 8 and 0.0018 0.0032 0.0022
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.0637 0.1171
Brugia malayi Smad1 0.0018 0.0032 0.0017
Loa Loa (eye worm) hypothetical protein 0.0101 0.0637 0.0637
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0027 0.0027
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0641 0.4579 0.8465
Schistosoma mansoni hypothetical protein 0.0017 0.0026 0.0015
Loa Loa (eye worm) hypothetical protein 0.0037 0.0171 0.0171
Schistosoma mansoni endonuclease related 0.0385 0.2711 0.2704
Brugia malayi PHD-finger family protein 0.0026 0.0091 0.0076
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0101 0.0637 0.0637
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0295 0.0281
Echinococcus granulosus GPCR family 2 0.0017 0.0026 0.004
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0028 0.0044
Brugia malayi beta-lactamase family protein 0.0118 0.0761 0.0747
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0158 0.0285
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.054 0.3843 0.7104
Brugia malayi MH1 domain containing protein 0.0018 0.0032 0.0017
Brugia malayi endonuclease G, mitochondrial precursor 0.0385 0.2711 0.27
Echinococcus granulosus smad 0.0018 0.0032 0.0053
Brugia malayi MH2 domain containing protein 0.0264 0.1832 0.182
Mycobacterium ulcerans hypothetical protein 0.0118 0.0761 1
Leishmania major endonuclease G, putative 0.0385 0.2711 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0032 0.0032
Trypanosoma cruzi hypothetical protein, conserved 0.0118 0.0761 0.2779
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0295 0.0281
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0158 0.0285
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0118 0.0761 1
Schistosoma mansoni intermediate filament proteins 0.0029 0.0114 0.0104
Onchocerca volvulus 0.0118 0.0761 0.0654
Schistosoma mansoni hypothetical protein 0.0101 0.0637 0.0627
Trypanosoma cruzi hypothetical protein, conserved 0.0118 0.0761 0.2779
Echinococcus multilocularis dnaJ subfamily B 0.042 0.2965 0.5478
Schistosoma mansoni lamin 0.0029 0.0114 0.0104
Loa Loa (eye worm) hypothetical protein 0.0027 0.01 0.01
Schistosoma mansoni hypothetical protein 0.0101 0.0637 0.0627
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0325 0.0862
Loa Loa (eye worm) hypothetical protein 0.0118 0.0761 0.0761
Echinococcus multilocularis zinc finger protein 0.0021 0.0053 0.0091
Loa Loa (eye worm) hypothetical protein 0.0054 0.0295 0.0295
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0101 0.0637 0.5
Mycobacterium leprae Probable lipase LipE 0.0118 0.0761 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0023 0.0035
Loa Loa (eye worm) transcription factor SMAD2 0.0264 0.1832 0.1832
Schistosoma mansoni hypothetical protein 0.0037 0.0171 0.0161
Trypanosoma brucei hypothetical protein, conserved 0.0118 0.0761 0.2779
Brugia malayi CXXC zinc finger family protein 0.0029 0.0116 0.0101
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.034 0.0622
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0641 0.4579 0.8465
Trypanosoma brucei endonuclease G, putative 0.0385 0.2711 1
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 7 homolog 0.0101 0.0637 0.0528
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0641 0.4579 0.4574
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0032 0.0053
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0114 0.0114
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0101 0.0637 0.1171
Loa Loa (eye worm) Smad1 0.0018 0.0032 0.0032
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0116 0.0116
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0101 0.0637 0.0622
Loa Loa (eye worm) hypothetical protein 0.0014 0.0004 0.0004
Trichomonas vaginalis esterase, putative 0.0118 0.0761 0.5
Echinococcus multilocularis GPCR, family 2 0.0017 0.0026 0.004
Mycobacterium leprae conserved hypothetical protein 0.0118 0.0761 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0026 0.004
Schistosoma mansoni hypothetical protein 0.0101 0.0637 0.0627
Schistosoma mansoni hypothetical protein 0.0017 0.0026 0.0015
Echinococcus granulosus Smad4 0.0018 0.0032 0.0053
Leishmania major ethanolamine phosphotransferase, putative 0.0101 0.0637 0.2319
Loa Loa (eye worm) hypothetical protein 0.0101 0.0637 0.0637
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.054 0.3843 0.7104
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0026 0.0011
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0026 0.0011
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0101 0.0637 0.1171
Mycobacterium ulcerans beta-lactamase 0.0118 0.0761 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0641 0.4579 0.8465
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.01 0.0334
Onchocerca volvulus GPI ethanolamine phosphate transferase 2 homolog 0.0101 0.0637 0.0528
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0385 0.2711 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0032 0.0053
Echinococcus granulosus zinc finger protein 0.0021 0.0053 0.0091
Toxoplasma gondii ABC1 family protein 0.0118 0.0761 0.253
Onchocerca volvulus GPI ethanolamine phosphate transferase 3 homolog 0.0101 0.0637 0.0528
Trichomonas vaginalis D-aminoacylase, putative 0.0118 0.0761 0.5
Schistosoma mansoni hypothetical protein 0.0017 0.0026 0.0015
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0641 0.4579 0.8465
Schistosoma mansoni cpg binding protein 0.0033 0.0142 0.0132
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0023 0.0013
Loa Loa (eye worm) hypothetical protein 0.0029 0.011 0.011
Trypanosoma cruzi endonuclease G, putative 0.0385 0.2711 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0118 0.0761 0.5
Trypanosoma cruzi endonuclease G, putative 0.0385 0.2711 1
Loa Loa (eye worm) hypothetical protein 0.0641 0.4579 0.4579
Schistosoma mansoni hypothetical protein 0.1383 1 1
Echinococcus multilocularis lamin dm0 0.0029 0.0114 0.0204
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0118 0.0761 0.0751
Loa Loa (eye worm) hypothetical protein 0.0043 0.0218 0.0218
Echinococcus granulosus Endonuclease G 0.0385 0.2711 0.5009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0028 0.0017
Loa Loa (eye worm) hypothetical protein 0.0641 0.4579 0.4579
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0641 0.4579 0.4571
Loa Loa (eye worm) beta-lactamase 0.0118 0.0761 0.0761
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0026
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0385 0.2711 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0752 0.5395 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0015 0.0015
Brugia malayi AEL166Cp 0.0101 0.0637 0.0622
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0357 0.0347
Brugia malayi hypothetical protein 0.0027 0.01 0.0085
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0295 0.0295
Schistosoma mansoni cpg binding protein 0.0029 0.0116 0.0106
Trichomonas vaginalis D-aminoacylase, putative 0.0118 0.0761 0.5
Brugia malayi hypothetical protein 0.0101 0.0637 0.0622
Loa Loa (eye worm) hypothetical protein 0.0118 0.0761 0.0761
Schistosoma mansoni smad1 5 8 and 0.0018 0.0032 0.0022
Trichomonas vaginalis penicillin-binding protein, putative 0.0118 0.0761 0.5
Loa Loa (eye worm) hypothetical protein 0.0118 0.0761 0.0761
Schistosoma mansoni smad1 5 8 and 0.0018 0.0032 0.0022
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0641 0.4579 0.4574
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0029 0.0114 0.0114
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0028 0.0044
Echinococcus multilocularis Endonuclease G 0.0385 0.2711 0.5009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0028 0.0017
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0032 0.0053
Brugia malayi MH1 domain containing protein 0.0018 0.0032 0.0017
Onchocerca volvulus 0.011 0.0707 0.06
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0032 0.0032
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0023 0.0013
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0074 0.013
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0026 0.004
Brugia malayi hypothetical protein 0.0101 0.0637 0.0622
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0101 0.0637 0.5
Brugia malayi intermediate filament protein 0.0029 0.0114 0.0099
Loa Loa (eye worm) hypothetical protein 0.0641 0.4579 0.4579
Schistosoma mansoni lamin 0.0029 0.0114 0.0104
Leishmania major hypothetical protein, conserved 0.0118 0.0761 0.2779
Loa Loa (eye worm) hypothetical protein 0.0069 0.0406 0.0406
Trypanosoma brucei endonuclease G, putative 0.0385 0.2711 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0118 0.0761 0.0747
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0023 0.0035
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0641 0.4579 0.8465
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0641 0.4579 0.8465
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0032 0.0053
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.034 0.0622
Onchocerca volvulus 0.0641 0.4579 0.4517
Echinococcus granulosus lamin 0.0029 0.0114 0.0204
Mycobacterium ulcerans esterase/lipase LipP 0.0118 0.0761 1
Echinococcus granulosus dnaJ subfamily B 0.042 0.2965 0.5478
Trypanosoma brucei endonuclease G, putative 0.0385 0.2711 1
Echinococcus multilocularis tumor protein p63 0.0754 0.5409 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0118 0.0761 0.1401
Echinococcus multilocularis transferase 0.0101 0.0637 0.1171
Loa Loa (eye worm) hypothetical protein 0.0017 0.0028 0.0028
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0048 0.0048
Onchocerca volvulus 0.0118 0.0761 0.0654
Echinococcus multilocularis ectonucleotide 0.054 0.3843 0.7104
Echinococcus multilocularis lamin 0.0029 0.0114 0.0204
Loa Loa (eye worm) hypothetical protein 0.0118 0.0761 0.0761
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0114 0.0099
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0385 0.2711 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0641 0.4579 0.4574
Echinococcus granulosus ectonucleotide 0.054 0.3843 0.7104
Mycobacterium ulcerans lipase LipD 0.0118 0.0761 1
Onchocerca volvulus 0.1383 1 1
Echinococcus granulosus intermediate filament protein 0.0029 0.0114 0.0204
Trichomonas vaginalis D-aminoacylase, putative 0.0118 0.0761 0.5
Echinococcus granulosus tumor protein p63 0.0754 0.5409 1
Brugia malayi MH2 domain containing protein 0.0018 0.0032 0.0017
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.1383 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0748 0.5362 0.5358
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0101 0.0637 0.5
Echinococcus granulosus cpg binding protein 0.0033 0.0142 0.0255
Schistosoma mansoni Smad4 0.0018 0.0032 0.0022
Echinococcus granulosus transferase 0.0101 0.0637 0.1171
Echinococcus multilocularis microtubule associated protein 2 0.0748 0.5362 0.9914
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0101 0.0637 0.1171
Schistosoma mansoni bromodomain containing protein 0.0064 0.0366 0.0356
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0641 0.4579 0.8465
Onchocerca volvulus 0.0029 0.0116 0.0002
Schistosoma mansoni hypothetical protein 0.0017 0.0026 0.0015

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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