Detailed information for compound 1522145

Basic information

Technical information
  • TDR Targets ID: 1522145
  • Name: (2S,3R,4R)-2,3,4,5-tetrahydroxypentanehydrazi de
  • MW: 180.159 | Formula: C5H12N2O5
  • H donors: 6 H acceptors: 5 LogP: -3.74 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H]([C@H]([C@@H](C(=O)NN)O)O)O
  • InChi: 1S/C5H12N2O5/c6-7-5(12)4(11)3(10)2(9)1-8/h2-4,8-11H,1,6H2,(H,7,12)/t2-,3-,4+/m1/s1
  • InChiKey: GQRGREOAXWDDQQ-JJYYJPOSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S,3R,4R)-2,3,4,5-tetrahydroxyvalerohydrazide
  • NCGC00013651
  • NSC-52902
  • NCI52902
  • NCIStruc1_000058
  • NCIStruc2_000212

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 sodium:potassium dependent atpase beta subunit 0.0682 0.0559 0.0559
Trichomonas vaginalis AGC family protein kinase 0.1105 0.1285 1
Echinococcus multilocularis Glutaredoxin protein 5 0.0682 0.0559 0.0559
Echinococcus granulosus serine threonine protein kinase nrc 0.0689 0.0572 0.0572
Trichomonas vaginalis AGC family protein kinase 0.1105 0.1285 1
Echinococcus granulosus Glutaredoxin protein 5 0.0682 0.0559 0.0559
Trichomonas vaginalis AGC family protein kinase 0.0424 0.0117 0.091
Brugia malayi p70 ribosomal S6 kinase beta 0.1037 0.1169 0.909
Echinococcus granulosus nervana 2 0.0682 0.0559 0.0559
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0689 0.0572 0.0572
Echinococcus multilocularis thymidine phosphorylase 0.6188 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0757 0.0689 0.5363
Echinococcus granulosus nervana 2 0.0682 0.0559 0.0559
Echinococcus multilocularis rac serine:threonine kinase 0.0757 0.0689 0.0689
Loa Loa (eye worm) AGC/AKT protein kinase 0.1105 0.1285 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0689 0.0572 0.5
Trypanosoma cruzi Protein kinase B 0.0757 0.0689 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0757 0.0689 0.5363
Trichomonas vaginalis AGC family protein kinase 0.1105 0.1285 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0689 0.0572 0.5
Entamoeba histolytica protein kinase 2, putative 0.0689 0.0572 0.4453
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.1037 0.1169 0.909
Trypanosoma brucei rac serine-threonine kinase, putative 0.1105 0.1285 0.5
Brugia malayi Protein kinase domain containing protein 0.1105 0.1285 1
Trichomonas vaginalis AGC family protein kinase 0.1105 0.1285 1
Giardia lamblia Kinase, AGC PKA 0.0689 0.0572 0.5
Entamoeba histolytica protein kinase, putative 0.1037 0.1169 0.909
Echinococcus multilocularis nervana 2 0.0682 0.0559 0.0559
Schistosoma mansoni serine/threonine-protein kinase 0.0757 0.0689 1
Schistosoma mansoni serine/threonine-protein kinase 0.0757 0.0689 1
Echinococcus multilocularis nervana 2 0.0682 0.0559 0.0559
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0682 0.0559 0.0559
Trichomonas vaginalis AGC family protein kinase 0.1105 0.1285 1
Trichomonas vaginalis AGC family protein kinase 0.1105 0.1285 1
Mycobacterium ulcerans thymidine phosphorylase 0.6188 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0757 0.0689 1
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.6188 1 1
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.1747 0.2385 0.5
Toxoplasma gondii AGC kinase 0.1037 0.1169 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0689 0.0572 0.0572
Trichomonas vaginalis AGC family protein kinase 0.1105 0.1285 1
Entamoeba histolytica protein kinase, putative 0.1105 0.1285 1
Echinococcus granulosus serine/threonine protein kinase 0.0757 0.0689 0.0689
Entamoeba histolytica protein kinase, putative 0.1105 0.1285 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference

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

No literature references available for this target.

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