Detailed information for compound 436599

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 211.241 | Formula: C8H9N3O2S
  • H donors: 4 H acceptors: 2 LogP: 0.49 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=S)N/N=C/c1ccc(cc1O)O
  • InChi: 1S/C8H9N3O2S/c9-8(14)11-10-4-5-1-2-6(12)3-7(5)13/h1-4,12-13H,(H3,9,11,14)/b10-4+
  • InChiKey: DZTQPWJXTVXKJK-ONNFQVAWSA-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 granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1067 0.1067
Leishmania major GTP-binding protein, putative 0.0022 0.0313 0.1208
Trichomonas vaginalis glutaminase, putative 0.0279 0.8835 1
Trypanosoma brucei unspecified product 0.0013 0.0029 0.0113
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0029 0.0113
Schistosoma mansoni hypothetical protein 0.0015 0.0103 0.0103
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0571 0.22
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.009 0.2594 0.2752
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0099 0.2861 0.3238
Schistosoma mansoni ran 0.0022 0.0313 0.0313
Onchocerca volvulus 0.0033 0.0684 0.0186
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0103 0.0103
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0103 0.0117
Schistosoma mansoni DNA polymerase eta 0.0044 0.1053 0.1053
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0103 0.0103
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.009 0.2594 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0778 0.088
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.1053 0.1192
Echinococcus granulosus importin subunit beta 1 0.0029 0.0571 0.0571
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0778 0.088
Schistosoma mansoni caspase-7 (C14 family) 0.003 0.0602 0.0602
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0224 0.0224
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0571 0.0571
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.3434 0.3434
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0313 0.1208
Loa Loa (eye worm) hypothetical protein 0.0033 0.0684 0.0684
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.7898 0.894
Leishmania major basic transcription factor 3a, putative 0.0036 0.0778 0.2999
Loa Loa (eye worm) hypothetical protein 0.0239 0.751 0.751
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.1053 0.4061
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Echinococcus multilocularis Coagulation factor 5 8 type, C terminal 0.0071 0.1943 0.1943
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.1053 0.4061
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0313 0.1096
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.003 0.0589 0.2273
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5044 0.5708
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0778 0.2999
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related 0.0053 0.1358 0.1358
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5044 0.5708
Trypanosoma brucei small ubiquitin-related modifier 0.0053 0.1358 0.5237
Loa Loa (eye worm) hypothetical protein 0.0033 0.0692 0.0692
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0103 0.0103
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0313 0.0313
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5044 0.5708
Brugia malayi hypothetical protein 0.003 0.0602 0.0681
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0099 0.2861 1
Schistosoma mansoni glutaminase 0.0279 0.8835 0.8835
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1067 0.1067
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.009 0.2594 0.2594
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Brugia malayi Ubiquitin-like protein SMT3 0.0053 0.1358 0.1538
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0099 0.2861 1
Leishmania major DNA polymerase eta, putative 0.0031 0.062 0.2391
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.5337 0.604
Brugia malayi MH2 domain containing protein 0.0116 0.3434 0.3887
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0313 0.1096
Echinococcus multilocularis Small ubiquitin modifier 2 0.0053 0.1358 0.1358
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0313 0.1208
Trypanosoma cruzi small ubiquitin protein, putative 0.0053 0.1358 0.5237
Loa Loa (eye worm) hypothetical protein 0.0048 0.1199 0.1199
Loa Loa (eye worm) glutaminase 0.0279 0.8835 0.8835
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0386 0.149
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0224 0.0254
Entamoeba histolytica hypothetical protein 0.0024 0.0386 0.2844
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0224 0.0224
Mycobacterium ulcerans glutaminase 0.0279 0.8835 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.009 0.2594 1
Brugia malayi glucose-6-phosphate dehydrogenase 0.009 0.2594 0.2936
Plasmodium falciparum small ubiquitin-related modifier 0.0053 0.1358 0.4748
Schistosoma mansoni ran 0.0022 0.0313 0.0313
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0224 0.0865
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0571 0.22
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0224 0.0254
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.7898 0.894
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0099 0.2861 0.3238
Trichomonas vaginalis ran, putative 0.0022 0.0313 0.0355
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0778 0.088
Schistosoma mansoni hypothetical protein 0.003 0.0602 0.0602
Echinococcus granulosus Small ubiquitin modifier 2 0.0053 0.1358 0.1358
Echinococcus multilocularis dedicator of cytokinesis protein 0.006 0.1572 0.1572
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0029 0.0561 0.2162
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5044 0.5708
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0224 0.0224
Brugia malayi beta-NAC-like protein 0.0036 0.0778 0.088
Toxoplasma gondii small ubiquitin family modifier, putative 0.0053 0.1358 0.4748
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.0778 0.2719
Brugia malayi RNA, U transporter 1 0.0084 0.2368 0.268
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0224 0.0865
Brugia malayi Cell death protein 3 precursor 0.003 0.0602 0.0681
Entamoeba histolytica hypothetical protein 0.0033 0.0684 0.5038
Loa Loa (eye worm) hypothetical protein 0.0044 0.1053 0.1053
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0099 0.2861 0.3238
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.009 0.2594 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0029 0.0113
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1067 0.1067
Leishmania major importin beta-1 subunit, putative 0.0024 0.0386 0.149
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.1358 0.1538
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5044 0.5708
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0031 0.0636 1
Entamoeba histolytica hypothetical protein 0.0036 0.0778 0.5726
Echinococcus granulosus dna polymerase eta 0.0044 0.1053 0.1053
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.7898 0.894
Brugia malayi Importin beta-1 subunit 0.0029 0.0571 0.0646
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.009 0.2594 0.2594
Echinococcus multilocularis ubiquitin 0.0033 0.0684 0.0684
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0103 0.0117
Schistosoma mansoni importin beta-1 0.0029 0.0571 0.0571
Giardia lamblia DINP protein human, muc B family 0.0019 0.0224 0.0784
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.062 0.2391
Echinococcus granulosus caspase 2 0.003 0.0602 0.0602
Echinococcus granulosus Coagulation factor 5 8 type C terminal 0.0071 0.1943 0.1943
Echinococcus granulosus ubiquitin 0.0033 0.0684 0.0684
Schistosoma mansoni hypothetical protein 0.0314 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1067 0.1067
Echinococcus multilocularis transcription factor btf3 0.0036 0.0778 0.0778
Brugia malayi hypothetical protein 0.0033 0.0684 0.0775
Echinococcus multilocularis snurportin 1 0.0314 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0224 0.0865
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.003 0.0602 0.0602
Echinococcus granulosus dna polymerase kappa 0.0019 0.0224 0.0224
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0571 0.1995
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0059 0.1554 0.5432
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.0778 0.2719
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.7042 0.7042
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0099 0.2861 1
Echinococcus multilocularis dna polymerase eta 0.0044 0.1053 0.1053
Brugia malayi glutaminase DH11.1 0.0279 0.8835 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0251 0.7898 0.7898
Echinococcus multilocularis caspase 2 0.003 0.0602 0.0602
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0224 0.0254
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1067 0.1067
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0313 0.0355
Giardia lamblia Sentrin 0.0053 0.1358 0.4748
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Schistosoma mansoni hypothetical protein 0.0024 0.0391 0.0391
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.009 0.2594 0.2594
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0778 0.0778
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.7898 0.894
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0224 0.1651
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5044 0.5708
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.5044 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0571 0.0571
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0103 0.0103
Entamoeba histolytica Ran family GTPase 0.0022 0.0313 0.2307
Schistosoma mansoni dock 0.0071 0.1943 0.1943
Trypanosoma brucei unspecified product 0.0019 0.0224 0.0865
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0103 0.0103
Echinococcus multilocularis GPCR, family 2 0.0015 0.0103 0.0103
Echinococcus multilocularis apoptotic protease activating factor 1 0.003 0.0602 0.0602
Schistosoma mansoni hypothetical protein 0.0015 0.0103 0.0103
Brugia malayi follicle stimulating hormone receptor 0.0225 0.7042 0.797
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0778 0.2999
Schistosoma mansoni hypothetical protein 0.0015 0.0103 0.0103
Plasmodium vivax importin-beta 2, putative 0.0029 0.0571 0.1995
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0224 0.0865
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.0778 0.2999
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0313 0.1096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1067 0.1067
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Entamoeba histolytica transcription factor BTF3, putative 0.0036 0.0778 0.5726
Entamoeba histolytica ubiquitin like protein 0.0053 0.1358 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1067 0.1067
Plasmodium falciparum importin beta, putative 0.0029 0.0571 0.1995
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.5337 0.604
Toxoplasma gondii NAC domain-containing protein 0.0036 0.0778 0.2719
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1199 0.1357
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1067 0.1067
Trichomonas vaginalis ubiquitin, putative 0.0033 0.0684 0.0775
Loa Loa (eye worm) hypothetical protein 0.003 0.0602 0.0602
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0386 0.0437
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0313 0.1208
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Brugia malayi photoreceptor-specific nuclear receptor 0.0239 0.751 0.85
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1199 0.1199
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0059 0.1554 0.1544
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0224 0.0224
Trypanosoma brucei unspecified product 0.0013 0.0029 0.0113
Loa Loa (eye worm) hypothetical protein 0.0015 0.0103 0.0103
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.7898 0.894
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0251 0.7898 0.894
Echinococcus granulosus GPCR family 2 0.0015 0.0103 0.0103
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Leishmania major small ubiquitin protein, putative 0.0053 0.1358 0.5237
Loa Loa (eye worm) SMO-1 protein 0.0053 0.1358 0.1358
Schistosoma mansoni transcription factor btf3 0.0036 0.0778 0.0778
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1067 0.1207
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.3434 0.3434
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0313 0.0313
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.062 0.2168
Leishmania major DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.009 0.2594 0.2594
Trypanosoma cruzi small ubiquitin protein, putative 0.0053 0.1358 0.5237
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.009 0.2594 1
Leishmania major DNA polymerase eta, putative 0.0044 0.1053 0.4061
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.7898 0.894
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0692 0.0783
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0029 0.0113
Schistosoma mansoni hypothetical protein 0.0033 0.0692 0.0692
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.009 0.2594 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Loa Loa (eye worm) glutaminase 2 0.0279 0.8835 0.8835
Schistosoma mansoni hypothetical protein 0.0015 0.0103 0.0103
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0313 0.1096
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0684 0.0775
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Echinococcus granulosus transcription factor btf3 0.0036 0.0778 0.0778
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5044 0.5708
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0386 0.0437
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0224 0.0224
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0224 0.0865
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0386 0.0437
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0313 0.0313
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1199 0.1357
Echinococcus granulosus apoptotic protease activating factor 1 0.003 0.0602 0.0602
Plasmodium vivax small ubiquitin-related modifier, putative 0.0053 0.1358 0.4748
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0099 0.2861 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.05 10^-3mmol/L Inhibition of pieris rapae Phenoloxidase ChEMBL. 17258462
Log IC50 (binding) = 5.98 Inhibition of pieris rapae Phenoloxidase ChEMBL. 17258462

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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