Detailed information for compound 949597

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.185 | Formula: C8H12N5O5P
  • H donors: 3 H acceptors: 6 LogP: -2.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncnc2c1ncn2COCOCP(=O)(O)O
  • InChi: 1S/C8H12N5O5P/c9-7-6-8(11-1-10-7)13(2-12-6)3-17-4-18-5-19(14,15)16/h1-2H,3-5H2,(H2,9,10,11)(H2,14,15,16)
  • InChiKey: BFKWMPLTKXJPBN-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
Echinococcus granulosus transcription factor Dp 1 0.0038 0.1223 0.5061
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0016 0.0277 0.016
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0012 0.012 0.012
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2189 0.2189
Loa Loa (eye worm) doublecortin family protein 0.002 0.0429 0.0939
Trichomonas vaginalis receptor histidine kinase, putative 0.0016 0.0277 0.0606
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.2045 0.8464
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.2416 1
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0012 0.012 0.012
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.2189 0.906
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0016 0.0277 0.0606
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.2189 1
Trichomonas vaginalis protein phosphatase 2C, putative 0.0115 0.4575 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.2416 1
Echinococcus multilocularis RUN 0.002 0.0429 0.1776
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0429 0.1776
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0012 0.012 0.012
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.2045 0.2045
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0013 0.0142 0.0023
Schistosoma mansoni loxhd1 0.002 0.0429 0.1776
Loa Loa (eye worm) hypothetical protein 0.002 0.0429 0.0939
Schistosoma mansoni aspartate carbamoyltransferase 0.0031 0.0937 0.3879
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0429 0.1776
Trichomonas vaginalis protein phosphatase 2C delta isoform, putative 0.0115 0.4575 1
Trichomonas vaginalis protein phosphatase type 2C, putative 0.0115 0.4575 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0429 0.0939
Mycobacterium ulcerans bifunctional phosphoribosylaminoimidazolecarboxamide formyltransferase/IMP cyclohydrolase 0.0241 1 1
Echinococcus granulosus RUN 0.002 0.0429 0.1776
Onchocerca volvulus 0.002 0.0429 0.5
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.2416 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.2416 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.2045 0.2045
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.2416 1
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0012 0.012 0.012
Mycobacterium leprae Probable two component sensor kinase MprB 0.0012 0.012 0.012
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.1952 0.808
Entamoeba histolytica leucine rich repeat / protein phosphatase 2C domain containing protein 0.0115 0.4575 1
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0031 0.0937 1
Schistosoma mansoni lipoxygenase 0.0055 0.1952 0.808
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0429 0.1776
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.2045 0.1949
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0012 0.012 0.012
Brugia malayi Doublecortin family protein 0.002 0.0429 0.1776
Schistosoma mansoni lipoxygenase 0.002 0.0429 0.1776
Toxoplasma gondii carbamoylphosphate synthetase 0.0031 0.0937 0.4282
Trichomonas vaginalis receptor histidine kinase, putative 0.0016 0.0277 0.0606
Mycobacterium tuberculosis Probable bifunctional purine biosynthesis protein PurH: phosphoribosylaminoimidazolecarboxamide formyltransferase (AICAR transfo 0.0241 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.2189 0.906
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.2045 0.8464
Mycobacterium ulcerans two component regulator - sensor kinase 0.0012 0.012 0.012
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0013 0.0142 0.0142
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.2045 0.8464
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0016 0.0277 0.0606
Leishmania major carbamoyl-phosphate synthase, putative 0.0031 0.0937 0.3879
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0016 0.0277 0.0606
Onchocerca volvulus 0.002 0.0429 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.2045 0.8464
Trichomonas vaginalis sensor histidine kinase, putative 0.0016 0.0277 0.0606
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0429 0.4578
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.2416 1
Mycobacterium ulcerans adenylylate/guanylate cyclase 0.001 0.0025 0.0025
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.2189 0.2094
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0012 0.012 0.012
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.2416 1
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0012 0.012 0.012
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0013 0.0142 0.0023
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.2045 0.8464
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0429 0.1776
Loa Loa (eye worm) hypothetical protein 0.0115 0.4568 1
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0012 0.012 0.012
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0429 0.4578
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.2416 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0429 0.1776
Mycobacterium ulcerans two component sensor kinase MprB 0.0012 0.012 0.012
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.1223 0.5061
Brugia malayi hypothetical protein 0.002 0.0429 0.1776
Schistosoma mansoni rab6-interacting 0.002 0.0429 0.1776
Brugia malayi hypothetical protein 0.002 0.0429 0.1776
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0031 0.0937 0.0937
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.2189 0.906
Schistosoma mansoni rab6-interacting 0.002 0.0429 0.1776
Plasmodium falciparum carbamoyl phosphate synthetase 0.0031 0.0937 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.2416 0.5289
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2189 0.2189
Wolbachia endosymbiont of Brugia malayi AICAR transformylase/IMP cyclohydrolase PurH 0.0241 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.1952 0.808
Schistosoma mansoni polycystin 1-related 0.002 0.0429 0.1776
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0016 0.0277 0.0606
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.2189 0.906
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.2189 0.906
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0031 0.0937 0.0827
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2189 0.2189
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.1879 0.4114
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0429 0.1776
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0012 0.012 0.5
Schistosoma mansoni hypothetical protein 0.002 0.0429 0.1776

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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