Detailed information for compound 266014

Basic information

Technical information
  • TDR Targets ID: 266014
  • Name: 2-(3-aminopropanoylamino)propanoic acid
  • MW: 160.171 | Formula: C6H12N2O3
  • H donors: 3 H acceptors: 3 LogP: -3.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)O)NC(=O)CCN
  • InChi: 1S/C6H12N2O3/c1-4(6(10)11)8-5(9)2-3-7/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)
  • InChiKey: OSOCQWFTTAPWEK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(3-amino-1-oxopropyl)amino]propanoic acid
  • 2-(3-azanylpropanoylamino)propanoic acid
  • 2-(3-aminopropanoylamino)propionic acid
  • 34322-87-7
  • NSC186897
  • A9252_SIGMA
  • .beta.-Alanyl-.beta.-alanine
  • .beta.-Alanyl-L-alanine
  • beta-Alanyl-beta-alanine

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
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0043 0.0406 0.0406
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0013 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0028 0.0197 0.0728
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0013 0 0.5
Brugia malayi Smad1 0.0014 0.0012 0.0044
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0043 0.0406 0.0406
Loa Loa (eye worm) MH2 domain-containing protein 0.0014 0.0012 0.0044
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0013 0 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0065 0.0716 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0065 0.0716 0.0598
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0088 0.102 0.3777
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0043 0.0406 0.0284
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0014 0.0012 0.0166
Loa Loa (eye worm) transcription factor SMAD2 0.021 0.2701 1
Echinococcus granulosus Smad4 0.0014 0.0012 0.0166
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0065 0.0716 1
Echinococcus granulosus smad 0.0014 0.0012 0.0166
Brugia malayi MH2 domain containing protein 0.0014 0.0012 0.0044
Echinococcus granulosus GPCR family 2 0.0028 0.0197 0.2744
Echinococcus multilocularis Smad4 0.0014 0.0012 0.0166
Echinococcus granulosus mothers against decapentaplegic 5 0.0014 0.0012 0.0166
Brugia malayi Latrophilin receptor protein 2 0.0028 0.0197 0.0728
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0014 0.0012 0.0166
Brugia malayi Probable ClpP-like protease 0.0065 0.0716 0.2652
Brugia malayi Calcitonin receptor-like protein seb-1 0.0088 0.102 0.3777
Schistosoma mansoni peptidase Clp (S14 family) 0.0065 0.0716 1
Schistosoma mansoni hypothetical protein 0.0028 0.0197 0.2744
Echinococcus multilocularis smad 0.0014 0.0012 0.0166
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.074 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0028 0.0197 0.2744
Brugia malayi MH1 domain containing protein 0.0014 0.0012 0.0044
Echinococcus granulosus TGF beta signal transducer SmadC 0.0014 0.0012 0.0166
Echinococcus multilocularis GPCR, family 2 0.0028 0.0197 0.2744
Schistosoma mansoni hypothetical protein 0.0028 0.0197 0.2744
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0639 0.2366
Loa Loa (eye worm) hypothetical protein 0.0065 0.0716 0.2652
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0065 0.0716 0.0598
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0065 0.0716 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0014 0.0012 0.0044
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0028 0.0197 0.2744
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0023 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0088 0.102 0.3777
Brugia malayi latrophilin 2 splice variant baaae 0.006 0.0639 0.2366
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0065 0.0716 0.5
Toxoplasma gondii hypothetical protein 0.0023 0.0126 0.1754
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0065 0.0716 0.0716
Loa Loa (eye worm) MH2 domain-containing protein 0.021 0.2701 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0065 0.0716 0.5
Schistosoma mansoni smad1 5 8 and 0.0014 0.0012 0.0166
Echinococcus multilocularis peptidase Clp (S14 family) 0.0043 0.0406 0.5666
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0028 0.0197 0.0728
Loa Loa (eye worm) Smad1 0.0014 0.0012 0.0044
Brugia malayi MH2 domain containing protein 0.0014 0.0012 0.0044
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.074 1 1
Brugia malayi MH1 domain containing protein 0.0014 0.0012 0.0044
Brugia malayi MH2 domain containing protein 0.021 0.2701 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.074 1 1
Schistosoma mansoni Smad4 0.0014 0.0012 0.0166
Schistosoma mansoni smad 0.0014 0.0012 0.0166
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0065 0.0716 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0088 0.102 0.3777
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0023 0.0126 0.0126
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0065 0.0716 0.5
Schistosoma mansoni hypothetical protein 0.006 0.0639 0.8922
Schistosoma mansoni hypothetical protein 0.0028 0.0197 0.2744
Treponema pallidum hypothetical protein 0.074 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0028 0.0197 0.2744
Schistosoma mansoni smad1 5 8 and 0.0014 0.0012 0.0166
Loa Loa (eye worm) hypothetical protein 0.0028 0.0197 0.0728
Echinococcus multilocularis mothers against decapentaplegic 5 0.0014 0.0012 0.0166
Schistosoma mansoni smad1 5 8 and 0.0014 0.0012 0.0166
Echinococcus granulosus peptidase Clp S14 family 0.0043 0.0406 0.5666
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0065 0.0716 0.0716
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0028 0.0197 0.2744
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.074 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0013 0 0.5
Schistosoma mansoni hypothetical protein 0.0028 0.0197 0.2744

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4.8 mM Inhibition constant (Ki) for human intestinal peptide carrier ChEMBL. 14667225
Ki (binding) = 4.8 mM Inhibition constant (Ki) for human intestinal peptide carrier ChEMBL. 14667225

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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