Detailed information for compound 70541

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 271.275 | Formula: C13H13N5O2
  • H donors: 5 H acceptors: 4 LogP: 1.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)NCc1c[nH]c2c1c(O)nc(n2)N
  • InChi: 1S/C13H13N5O2/c14-13-17-11-10(12(20)18-13)7(6-16-11)5-15-8-2-1-3-9(19)4-8/h1-4,6,15,19H,5H2,(H4,14,16,17,18,20)
  • InChiKey: RUDNFFCTWPXATF-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) phosphatidylinositol 3 0.1117 0.6487 1
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.1629 1 1
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0771 0.4111 0.8139
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0413 0.1659 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0744 0.3928 0.7694
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0771 0.4111 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.085 0.4654 0.9457
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0882 0.4878 1
Entamoeba histolytica hypothetical protein 0.0744 0.3928 0.7694
Loa Loa (eye worm) hypothetical protein 0.0328 0.108 0.0912
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0882 0.4878 1
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0771 0.4111 0.5019
Brugia malayi hypothetical protein 0.0328 0.108 0.0775
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0771 0.4111 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0882 0.4878 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0494 0.2216 0.1862
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0532 0.2472 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0882 0.4878 1
Mycobacterium ulcerans proteasome PrcA 0.1629 1 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0882 0.4878 1
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0771 0.4111 0.8139
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0771 0.4111 1
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0771 0.4111 0.4109
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0771 0.4111 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1255 0.7437 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.067 0.3422 0.6464
Loa Loa (eye worm) hypothetical protein 0.0388 0.1488 0.1599
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0282 0.076 0.0515
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1255 0.7437 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0882 0.4878 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0356 0.1267 0.123
Treponema pallidum nitrogen fixation protein (rnfC) 0.0172 0.0005 0.5
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0771 0.4111 0.4109
Loa Loa (eye worm) hypoxia-induced factor 1 0.0303 0.0905 0.0619
Loa Loa (eye worm) hypothetical protein 0.0494 0.2216 0.2822
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.032 0.1022 0.1018
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.032 0.1022 0.1018
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0771 0.4111 0.8139
Schistosoma mansoni hypothetical protein 0.032 0.1022 0.0392
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0771 0.4111 0.6007
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0771 0.4111 0.8235
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.067 0.3422 0.6464
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0771 0.4111 0.4816
Brugia malayi hypoxia-induced factor 1 0.0303 0.0905 0.0351
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0373 0.1386 0.1519
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0771 0.4111 0.8235
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0882 0.4878 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0494 0.2216 0.3536
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0771 0.4111 0.363
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1255 0.7437 1

Activities

Activity type Activity value Assay description Source Reference
Incorporation (binding) = 33 % Ability to act as substrate of rat liver tRNA-Guanine Transglycosylase. ChEMBL. 3746821
Incorporation (binding) = 33 % Ability to act as substrate of rat liver tRNA-Guanine Transglycosylase. ChEMBL. 3746821
Inhibition (functional) = 12 % Compound was tested for inhibition of growth of L5178Y cells at concentration of 1 ug/mL ChEMBL. 3746821
Inhibition (functional) = 12 % Compound was tested for inhibition of growth of L5178Y cells at concentration of 1 ug/mL ChEMBL. 3746821
Inhibition (functional) = 65 % Inhibition of L5178Y cell growth at 10 ug/L. ChEMBL. 3746821
Inhibition (functional) = 65 % Inhibition of L5178Y cell growth at 10 ug/L. ChEMBL. 3746821
Inhibition (functional) = 79 % Inhibition of L5178Y cell growth at 100 ug/L. ChEMBL. 3746821
Inhibition (functional) = 79 % Inhibition of L5178Y cell growth at 100 ug/L. ChEMBL. 3746821

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.

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