Detailed information for compound 61424

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 224.601 | Formula: C9H5ClN2O3
  • H donors: 2 H acceptors: 4 LogP: 2.36 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Nc1c(O)nc2c(c1O)cccc2Cl
  • InChi: 1S/C9H5ClN2O3/c10-5-3-1-2-4-6(5)11-9(14)7(12-15)8(4)13/h1-3H,(H2,11,13,14)
  • InChiKey: NEBXKPRGJIMCCZ-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
Leishmania major methylthioadenosine phosphorylase, putative 0.0165 0.1029 0.4154
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0797 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0632 0.7657 0.7657
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0165 0.1029 0.1029
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0165 0.1029 0.5
Plasmodium falciparum glutathione reductase 0.0267 0.2477 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0797 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1029 0.1029
Echinococcus multilocularis purine nucleoside phosphorylase 0.0797 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0165 0.1029 0.5
Loa Loa (eye worm) glutathione reductase 0.0267 0.2477 0.2185
Trypanosoma brucei uridine phosphorylase 0.0165 0.1029 0.4154
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0797 1 0.5
Brugia malayi MTAP 0.0165 0.1029 0.1029
Echinococcus granulosus thioredoxin glutathione reductase 0.0267 0.2477 0.2477
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0632 0.7657 0.7657
Trypanosoma cruzi trypanothione reductase, putative 0.0267 0.2477 1
Leishmania major trypanothione reductase 0.0267 0.2477 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0797 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1029 0.1029
Echinococcus granulosus purine nucleoside phosphorylase 0.0797 1 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0165 0.1029 0.1029
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0165 0.1029 0.1029
Treponema pallidum uridine phosphorylase (udp) 0.0165 0.1029 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0797 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0165 0.1029 0.1029
Echinococcus multilocularis purine nucleoside phosphorylase 0.0797 1 1
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0165 0.1029 0.5
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0165 0.1029 0.4154
Plasmodium falciparum thioredoxin reductase 0.0267 0.2477 1
Plasmodium falciparum purine nucleoside phosphorylase 0.0165 0.1029 0.4154
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0165 0.1029 0.1029
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0165 0.1029 0.4154
Leishmania major nucleoside phosphorylase-like protein 0.0165 0.1029 0.4154
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0165 0.1029 0.5
Toxoplasma gondii thioredoxin reductase 0.0267 0.2477 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0165 0.1029 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0797 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0797 1 1
Mycobacterium tuberculosis Hypothetical protein 0.0165 0.1029 0.1029
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0797 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0165 0.1029 0.5
Treponema pallidum pfs protein (pfs) 0.0165 0.1029 1
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0797 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0797 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0092 0 0.5
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0797 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0267 0.2477 0.2477
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0092 0 0.5
Toxoplasma gondii Purine nucleoside phosphorylase 0.0165 0.1029 0.4154
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0165 0.1029 0.1029
Brugia malayi glutathione reductase 0.0267 0.2477 0.2477
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0165 0.1029 0.1029
Schistosoma mansoni methylthioadenosine phosphorylase 0.0165 0.1029 0.1029
Chlamydia trachomatis AMP nucleosidase 0.0165 0.1029 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0165 0.1029 0.1029
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0165 0.1029 0.4154
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0165 0.1029 0.4154
Echinococcus multilocularis purine nucleoside phosphorylase 0.0632 0.7657 0.7657
Schistosoma mansoni purine nucleoside phosphorylase 0.0797 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0165 0.1029 0.1029
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0165 0.1029 1
Loa Loa (eye worm) thioredoxin reductase 0.0267 0.2477 0.2185
Entamoeba histolytica hypothetical protein 0.0165 0.1029 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0797 1 1
Giardia lamblia UPL-1 0.0165 0.1029 0.1029
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0165 0.1029 0.4154
Plasmodium vivax glutathione reductase, putative 0.0267 0.2477 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0797 1 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0165 0.1029 0.4154
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0165 0.1029 0.1029
Brugia malayi uridine phosphorylase family protein 0.0165 0.1029 0.1029
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0165 0.1029 0.1029
Echinococcus granulosus purine nucleoside phosphorylase 0.0797 1 1
Echinococcus multilocularis uridine phosphorylase 1 0.0165 0.1029 0.1029
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0165 0.1029 0.1029
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0165 0.1029 0.1029
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0165 0.1029 0.1029
Echinococcus granulosus methylthioadenosine phosphorylase 0.0165 0.1029 0.1029
Echinococcus granulosus purine nucleoside phosphorylase 0.0797 1 1
Schistosoma mansoni uridine phosphorylase 0.0165 0.1029 0.1029
Brugia malayi Thioredoxin reductase 0.0267 0.2477 0.2477
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0267 0.2477 0.2477
Loa Loa (eye worm) hypothetical protein 0.0632 0.7657 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0165 0.1029 0.4154
Plasmodium vivax thioredoxin reductase, putative 0.0267 0.2477 1
Echinococcus granulosus uridine phosphorylase 1 0.0165 0.1029 0.1029
Mycobacterium leprae probable uridine phosphorylase 0.0165 0.1029 0.1029
Trypanosoma brucei trypanothione reductase 0.0267 0.2477 1
Schistosoma mansoni uridine phosphorylase 0.0165 0.1029 0.1029
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0797 1 1
Toxoplasma gondii phosphorylase family protein 0.0165 0.1029 0.4154
Toxoplasma gondii phosphorylase family protein 0.0165 0.1029 0.4154
Echinococcus granulosus purine nucleoside phosphorylase 0.0797 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0797 1 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0165 0.1029 0.1029
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0165 0.1029 0.1029

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2 Compound was tested for inhibition of [3H]-DCKA binding to N-methyl-D-aspartate glutamate receptor ChEMBL. 12699379
IC50 (binding) > 100 uM Inhibition of [3H]-DCKA binding to NMDA receptor of rat brain membranes. ChEMBL. 8917657
IC50 (binding) > 100 uM Inhibition of [3H]-DCKA binding to N-methyl-D-aspartate glutamate receptor ChEMBL. 12699379
IC50 (binding) > 100 uM Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes ChEMBL. 8765507
IC50 (binding) > 100 uM Inhibition of [3H]-DCKA binding to NMDA receptor of rat brain membranes. ChEMBL. 8917657
IC50 (binding) > 100 uM Inhibition of [3H]-DCKA binding to N-methyl-D-aspartate glutamate receptor ChEMBL. 12699379
IC50 (binding) > 100 uM Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes ChEMBL. 8765507
Log (binding) = -2 1/IC50 Compound was tested for inhibition of [3H]-DCKA binding to N-methyl-D-aspartate glutamate receptor ChEMBL. 12699379

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

3 literature references were collected for this gene.

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