Detailed information for compound 1169447

Basic information

Technical information
  • TDR Targets ID: 1169447
  • Name: (2S)-2-amino-3-furan-2-ylpropanoic acid
  • MW: 155.151 | Formula: C7H9NO3
  • H donors: 2 H acceptors: 2 LogP: -2.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@H](Cc1ccco1)N
  • InChi: 1S/C7H9NO3/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1
  • InChiKey: RXZQHZDTHUUJQJ-LURJTMIESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-2-amino-3-(2-furyl)propanoic acid
  • (2S)-2-amino-3-(2-furyl)propionic acid
  • (2S)-2-amino-3-furan-2-yl-propanoic acid
  • 127682-08-0
  • AL368-1
  • L-2-Furylalanine
  • (2S)-2-azaniumyl-3-furan-2-ylpropanoate
  • (2S)-2-azaniumyl-3-(2-furyl)propanoate
  • (2S)-2-ammonio-3-(2-furyl)propanoate
  • (2S)-2-ammonio-3-(2-furyl)propionate
  • (2S)-2-azaniumyl-3-furan-2-yl-propanoate
  • ZINC02385775

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 imidazole glycerol-phosphate dehydratase HisB 0.1206 0.8632 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0081 0.0465 0.0465
Loa Loa (eye worm) hypothetical protein 0.0174 0.1145 0.6617
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0095 0.0095
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.1639 0.9475
Loa Loa (eye worm) cysteine protease 0.0017 0.0007 0.0038
Plasmodium vivax SET domain protein, putative 0.003 0.0095 1
Onchocerca volvulus 0.003 0.0095 0.0559
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0007 0.0007
Leishmania major cathepsin L-like protease 0.0066 0.0362 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0362 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0081 0.0465 0.269
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0081 0.0465 0.0465
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0095 0.0095
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0362 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0087 0.0087
Mycobacterium leprae Probable imidazole glycerol-phosphate dehydratase HisB 0.0595 0.4196 0.5
Trichomonas vaginalis set domain proteins, putative 0.0234 0.1581 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0007 0.0007
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0007 0.0007
Echinococcus multilocularis cysteine protease 0.0017 0.0007 0.0007
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0007 0.0038
Schistosoma mansoni hypothetical protein 0.0081 0.0465 0.0465
Echinococcus granulosus GPCR family 2 0.0081 0.0465 0.0465
Brugia malayi Cathepsin L-like precursor 0.0017 0.0007 0.0038
Leishmania major cathepsin L-like protease 0.0066 0.0362 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0095 0.0095
Schistosoma mansoni hypothetical protein 0.0174 0.1145 0.1145
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0362 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0007 0.5
Entamoeba histolytica cysteine protease, putative 0.0017 0.0007 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0095 0.0095
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.003 0.0095 0.0547
Brugia malayi Pre-SET motif family protein 0.003 0.0095 0.0547
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0362 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0257 0.1484
Brugia malayi Calcitonin receptor-like protein seb-1 0.0255 0.173 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0007 0.5
Schistosoma mansoni hypothetical protein 0.0081 0.0465 0.0465
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0258 0.7098
Brugia malayi Cathepsin L-like precursor 0.0017 0.0007 0.0038
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0007 0.0007
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0255 0.173 1
Brugia malayi Pre-SET motif family protein 0.0206 0.1375 0.7949
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0007 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0362 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0007 0.0038
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0081 0.0465 0.0465
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0007 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0362 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0362 1
Brugia malayi MH2 domain containing protein 0.0242 0.1639 0.9475
Brugia malayi Cathepsin L-like precursor 0.0017 0.0007 0.0038
Onchocerca volvulus 0.0052 0.0257 0.1589
Schistosoma mansoni hypothetical protein 0.0081 0.0465 0.0465
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0007 0.0038
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0362 0.5
Brugia malayi Cathepsin L-like precursor 0.0017 0.0007 0.0038
Echinococcus multilocularis tumor protein p63 0.0355 0.2453 0.2453
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0081 0.0465 0.269
Echinococcus granulosus cathepsin l1 0.0017 0.0007 0.0007
Loa Loa (eye worm) fibroinase 0.0017 0.0007 0.0038
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0007 0.5
Mycobacterium ulcerans imidazoleglycerol-phosphate dehydratase 0.1206 0.8632 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0007 0.0007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0362 0.5
Schistosoma mansoni hypothetical protein 0.0081 0.0465 0.0465
Brugia malayi Cathepsin L-like precursor 0.0017 0.0007 0.0038
Echinococcus multilocularis microtubule associated protein 2 0.1395 1 1
Echinococcus granulosus tumor protein p63 0.0355 0.2453 0.2453
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0362 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0362 1
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.1639 0.9475
Loa Loa (eye worm) hypothetical protein 0.0255 0.173 1
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0362 1
Brugia malayi Latrophilin receptor protein 2 0.0081 0.0465 0.269
Loa Loa (eye worm) ctsf protein 0.0017 0.0007 0.0038
Schistosoma mansoni microtubule-associated protein tau 0.1395 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0007 0.0007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0362 0.5
Echinococcus multilocularis cysteine protease 0.0017 0.0007 0.0007
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0095 0.0095
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0095 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0007 0.0038
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0081 0.0465 0.0465
Leishmania major cathepsin L-like protease 0.0066 0.0362 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0007 0.0038
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0255 0.173 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0362 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.0465 0.269
Onchocerca volvulus 0.0234 0.1581 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0362 0.5
Echinococcus multilocularis GPCR, family 2 0.0081 0.0465 0.0465
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0095 0.0095
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.1375 0.7949
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0007 0.0007
Brugia malayi latrophilin 2 splice variant baaae 0.0174 0.1145 0.6617
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0257 0.0257
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.032 0.8824
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0095 0.0095

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 15 % Activation of nitrogen-starved wild type sigma1278b yeast Gap1-mediated amino acid uptake at 5 mM after 60 secs relative to L-citrulline ChEMBL. 19060912
Inhibition (binding) >= 30 % Inhibition of nitrogen-starved wild type sigma1278b yeast Gap1-mediated amino acid uptake at 5 mM after 60 secs relative to L-citrulline ChEMBL. 19060912

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.