Detailed information for compound 1464393

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.337 | Formula: C16H18N4O7
  • H donors: 5 H acceptors: 6 LogP: -2.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H]([C@@H]([C@@H](Cn1c2cc(OC)ccc2nc2c1nc(=O)[nH]c2=O)O)O)O
  • InChi: 1S/C16H18N4O7/c1-27-7-2-3-8-9(4-7)20(5-10(22)13(24)11(23)6-21)14-12(17-8)15(25)19-16(26)18-14/h2-4,10-11,13,21-24H,5-6H2,1H3,(H,19,25,26)/t10-,11+,13-/m1/s1
  • InChiKey: OBNXUFLEFUHBGJ-NTZNESFSSA-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 cystathionine beta-synthase 0.0138 0.0387 1
Trypanosoma cruzi serine sulfhydrylase 0.0138 0.0387 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0375 0.4419 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0375 0.4419 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0375 0.4419 1
Onchocerca volvulus 0.0375 0.4419 0.5
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0703 1 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0375 0.4419 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0703 1 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0375 0.4419 1
Mycobacterium leprae PROBABLE CYSTEINE SYNTHASE A CYSK (O-ACETYLSERINE SULFHYDRYLASE A) (O-ACETYLSERINE (THIOL)-LYASE A) (CSASE A) 0.0138 0.0387 0.5
Trichomonas vaginalis cysteine synthase, putative 0.0138 0.0387 0.0875
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.0138 0.0387 0.5
Trichomonas vaginalis threonine synthase, putative 0.0138 0.0387 0.0875
Trypanosoma cruzi serine sulfhydrylase 0.0138 0.0387 1
Trypanosoma cruzi cystathionine beta-synthase 0.0138 0.0387 1
Trichomonas vaginalis cysteine synthase, putative 0.0138 0.0387 0.0875
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0703 1 1
Trypanosoma cruzi serine sulfhydrylase 0.0138 0.0387 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0703 1 0.5
Trypanosoma cruzi cystathionine beta-synthase 0.0138 0.0387 1
Trypanosoma cruzi serine sulfhydrylase 0.0138 0.0387 1
Trichomonas vaginalis threonine synthase, putative 0.0138 0.0387 0.0875
Trypanosoma cruzi cystathionine beta-synthase 0.0138 0.0387 1
Trichomonas vaginalis cysteine synthase, putative 0.0138 0.0387 0.0875
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0375 0.4419 1
Trypanosoma brucei cystathionine beta-synthase, putative 0.0138 0.0387 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0375 0.4419 0.4194
Trypanosoma cruzi cystathionine beta-synthase, putative 0.0138 0.0387 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.026 0.245 1
Toxoplasma gondii CBS family protein 0.0138 0.0387 0.5
Toxoplasma gondii pyridoxal-phosphate dependent superfamily protein 0.0138 0.0387 0.5
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0375 0.4419 0.5
Leishmania major cysteine synthase 0.0138 0.0387 1
Trypanosoma cruzi cysteine synthase, putative 0.0138 0.0387 1
Trichomonas vaginalis cysteine synthase, putative 0.0138 0.0387 0.0875
Trypanosoma cruzi cystathionine beta-synthase, putative 0.0138 0.0387 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0375 0.4419 1
Trypanosoma cruzi cysteine synthase, putative 0.0138 0.0387 1
Trichomonas vaginalis cysteine synthase, putative 0.0138 0.0387 0.0875
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0375 0.4419 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0375 0.4419 1
Trichomonas vaginalis cysteine synthase, putative 0.0138 0.0387 0.0875
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0375 0.4419 0.4194
Trypanosoma cruzi cystathionine beta-synthase, putative 0.0138 0.0387 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of recombinant CDK2 at 10 uM by Z'-LYTE kinase assay kit method ChEMBL. 21082766
Inhibition (binding) = 33.9 % Inhibition of recombinant GSK3-beta at 10 uM by Z'-LYTE kinase assay kit method ChEMBL. 21082766

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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