Detailed information for compound 174438

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 195.199 | Formula: C8H11N4O2+
  • H donors: 4 H acceptors: 2 LogP: 0.25 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=[NH2+])N/N=C/c1ccccc1O
  • InChi: 1S/C8H10N4O2/c9-8(12-14)11-10-5-6-3-1-2-4-7(6)13/h1-5,13-14H,(H3,9,11,12)/p+1/b10-5+
  • InChiKey: XKXGOQZSTRVCBQ-BJMVGYQFSA-O  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 guanine nucleotide binding protein G(s) subunit 0.0045 0.0385 0.0606
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0108 0.1416 0.2866
Brugia malayi Pax transcription factor protein 2 0.0279 0.4231 0.9088
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0125 0.0036
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0108 0.0685
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0118 0.1575 0.1458
Trichomonas vaginalis alpha-glucosidase, putative 0.0068 0.075 0.0733
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0108 0.0762
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0588 0.1258
Brugia malayi Glycosyl hydrolases family 31 protein 0.0305 0.4656 1
Echinococcus granulosus snurportin 1 0.0306 0.4674 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0025 0.0051 0.0032
Treponema pallidum fructose-bisphosphate aldolase 0.0629 1 1
Schistosoma mansoni alpha-glucosidase 0.0262 0.3957 0.8429
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0287 0.0616
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0103 0.1339 0.2699
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0629 1 1
Echinococcus granulosus geminin 0.0196 0.2871 0.6053
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0118 0.1575 0.1559
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0068 0.075 0.0733
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0629 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0588 0.1262
Schistosoma mansoni hypothetical protein 0.0204 0.2994 0.6321
Onchocerca volvulus 0.0279 0.4231 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0118 0.1575 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0108 0.1416 0.2866
Echinococcus granulosus kinesin family 1 0.0234 0.3495 0.742
Trypanosoma brucei glucosidase, putative 0.0068 0.075 0.5294
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0125 0.0039
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0629 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0629 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0629 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0103 0.1339 0.2697
Echinococcus multilocularis snurportin 1 0.0306 0.4674 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0025 0.0051 0.0359
Entamoeba histolytica kinesin, putative 0.003 0.0137 0.0119
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0629 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0287 0.0613
Plasmodium falciparum importin beta, putative 0.0029 0.0108 0.0685
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.075 0.5294
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.075 0.5294
Schistosoma mansoni kinesin eg-5 0.003 0.0137 0.0064
Brugia malayi Pre-SET motif family protein 0.0207 0.3042 0.6535
Schistosoma mansoni hypothetical protein 0.0039 0.0287 0.0391
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0125 0.0036
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0125 0.0036
Onchocerca volvulus 0.0235 0.3513 0.8282
Schistosoma mansoni alpha glucosidase 0.0068 0.075 0.1406
Brugia malayi Pre-SET motif family protein 0.003 0.0125 0.0267
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0385 0.0606
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0068 0.075 0.0733
Brugia malayi hypothetical protein 0.0175 0.2521 0.5415
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0118 0.1575 0.1559
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0305 0.4656 0.9961
Trichomonas vaginalis alpha-glucosidase, putative 0.0068 0.075 0.0733
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0118 0.1575 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0305 0.4656 0.996
Schistosoma mansoni lipoxygenase 0.0072 0.0827 0.1574
Schistosoma mansoni hypothetical protein 0.0196 0.2871 0.6052
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0068 0.075 0.1604
Brugia malayi Glycosyl hydrolases family 31 protein 0.0025 0.0051 0.0109
Echinococcus multilocularis lysosomal alpha glucosidase 0.0305 0.4656 0.996
Echinococcus multilocularis lysosomal alpha glucosidase 0.0305 0.4656 0.996
Onchocerca volvulus 0.0175 0.2521 0.5909
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0108 0.1416 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0629 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0025 0.0051 0.0032
Trichomonas vaginalis alpha-glucosidase, putative 0.0025 0.0051 0.0032
Echinococcus granulosus importin subunit beta 1 0.0029 0.0108 0.0003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0629 1 1
Brugia malayi RNA, U transporter 1 0.0081 0.0978 0.2101
Schistosoma mansoni lipoxygenase 0.0103 0.1339 0.2697
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0108 0.1416 1
Brugia malayi Kinesin motor domain containing protein 0.003 0.0137 0.0295
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0071 0.0799 0.5072
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0108 0.1416 0.2868
Trichomonas vaginalis alpha-glucosidase, putative 0.0025 0.0051 0.0032
Schistosoma mansoni hypothetical protein 0.0306 0.4674 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0385 0.0609
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0385 0.0606
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0629 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0068 0.075 0.1611
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0108 0.1416 0.303
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0118 0.1575 0.1559
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.3042 0.6509
Echinococcus multilocularis neutral alpha glucosidase AB 0.0068 0.075 0.1406
Trypanosoma brucei glycosyl hydrolase-like protein 0.0025 0.0051 0.0359
Onchocerca volvulus 0.003 0.0125 0.0176
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0025 0.0051 0.0359
Trichomonas vaginalis sucrase-isomaltase, putative 0.0068 0.075 0.0733
Onchocerca volvulus 0.0176 0.2539 0.5953
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0068 0.075 0.4761
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0036 0.0226 0.1595
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0385 0.0823
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0019 0.0131
Schistosoma mansoni hypothetical protein 0.0196 0.2871 0.6052
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0588 0.1262
Trichomonas vaginalis alpha-glucosidase, putative 0.0068 0.075 0.0733
Loa Loa (eye worm) kinesin-like protein KLP2 0.003 0.0137 0.0294
Leishmania major glycosyl hydrolase-like protein 0.0025 0.0051 0.0359
Trichomonas vaginalis alpha-glucosidase, putative 0.0068 0.075 0.0733
Trichomonas vaginalis alpha-glucosidase, putative 0.0025 0.0051 0.0032
Brugia malayi Importin beta-1 subunit 0.0029 0.0108 0.0232
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0068 0.075 0.0733
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0108 0.1416 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0025 0.0051 0.0032
Loa Loa (eye worm) hypothetical protein 0.003 0.0125 0.0266
Trichomonas vaginalis set domain proteins, putative 0.0235 0.3513 0.3501
Plasmodium vivax SET domain protein, putative 0.003 0.0125 0.0791
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0118 0.1575 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.4674 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0025 0.0051 0.0032
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0307 0.4699 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0385 0.0606
Loa Loa (eye worm) pax transcription factor protein 2 0.0279 0.4231 0.9053
Plasmodium vivax importin-beta 2, putative 0.0029 0.0108 0.0685
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0385 0.0826
Echinococcus multilocularis kinesin family 1 0.0234 0.3495 0.7419
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0125 0.0036
Brugia malayi glucose-6-phosphate dehydrogenase 0.0108 0.1416 0.3042
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0068 0.075 0.0733
Loa Loa (eye worm) hypothetical protein 0.0058 0.0588 0.1258
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0385 0.0609
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0307 0.4699 1
Plasmodium falciparum kinesin-5 0.003 0.0137 0.0872
Loa Loa (eye worm) hypothetical protein 0.0025 0.0051 0.0109
Leishmania major importin beta-1 subunit, putative 0.0023 0.0019 0.0131
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0108 0.1416 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0068 0.075 0.0733
Loa Loa (eye worm) hypothetical protein 0.0029 0.0108 0.0231
Giardia lamblia Fructose-bisphosphate aldolase 0.0629 1 1
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0035 0.0209 0.1474
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0125 0.0036
Plasmodium vivax kinesin-5 0.003 0.0137 0.0872
Leishmania major alpha glucosidase II subunit, putative 0.0068 0.075 0.5294
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0108 0.1416 0.1584
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0025 0.0051 0.0032
Trichomonas vaginalis maltase-glucoamylase, putative 0.0068 0.075 0.0733
Schistosoma mansoni alpha-glucosidase 0.0262 0.3957 0.8429
Toxoplasma gondii kinesin motor domain-containing protein 0.003 0.0137 0.0872
Echinococcus multilocularis geminin 0.0196 0.2871 0.6052
Trichomonas vaginalis maltase-glucoamylase, putative 0.0025 0.0051 0.0032
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0125 0.0036
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0125 0.0791
Echinococcus granulosus neutral alpha glucosidase AB 0.0068 0.075 0.1408
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0385 0.0606
Loa Loa (eye worm) hypothetical protein 0.0175 0.2521 0.5394
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0307 0.4699 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0108 0.0762

Activities

Activity type Activity value Assay description Source Reference
Acceptor activity (binding) = 33.8 Electron acceptor activity on bovine milk xanthine oxidase using xanthine as reducing substrate ChEMBL. 15163191

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.