Detailed information for compound 274417

Basic information

Technical information
  • TDR Targets ID: 274417
  • Name: 3-hydrazinylpropanoic acid
  • MW: 104.108 | Formula: C3H8N2O2
  • H donors: 3 H acceptors: 2 LogP: -3.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNCCC(=O)O
  • InChi: 1S/C3H8N2O2/c4-5-2-1-3(6)7/h5H,1-2,4H2,(H,6,7)
  • InChiKey: ICARQSBNIMOEKE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-hydrazinopropanoic acid
  • 3-hydrazinopropionic acid
  • 18046-19-0
  • NSC 110908
  • Propanoic acid, 3-hydrazino-
  • NSC110908
  • Propionic acid, 3-hydrazino-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Gamma-amino-N-butyrate transaminase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) Get druggable targets OG5_129508 All targets in OG5_129508
Candida albicans one of two potential aminotransferase genes Get druggable targets OG5_129508 All targets in OG5_129508
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor Get druggable targets OG5_129508 All targets in OG5_129508
Candida albicans one of two potential aminotransferase genes similar to S. cerevisiae UGA1 (YGR019W) gamma-aminobutyrate (GABA) transaminase Get druggable targets OG5_129508 All targets in OG5_129508
Mycobacterium ulcerans L-lysine aminotransferase Get druggable targets OG5_129508 All targets in OG5_129508
Candida albicans one of two potential aminotransferase genes Get druggable targets OG5_129508 All targets in OG5_129508
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
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.027 0 0.5
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0576 1 0.5
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0576 1 0.5
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0293 0.0732 0.5
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0576 1 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0576 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0576 1 0.5
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0576 1 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0576 1 0.5
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0576 1 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.027 0 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.027 0 0.5
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0576 1 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.027 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) < 0.02 uM The Dissociation Constant of the compound for Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
Kd (binding) < 0.02 uM The Dissociation Constant of the compound for Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
Kreact (binding) = 6.9 min-1 The Reactivation Kinetic Constant of the compound for Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
Kreact (binding) = 6.9 min-1 The Reactivation Kinetic Constant of the compound for Gamma-amino-N-butyrate transaminase ChEMBL. 8576911

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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