Detailed information for compound 410101

Basic information

Technical information
  • TDR Targets ID: 410101
  • Name: (1S,3S,4E)-3-amino-4-(2,2,2-trifluoroethylide ne)cyclopentane-1-carboxylic acid
  • MW: 209.166 | Formula: C8H10F3NO2
  • H donors: 2 H acceptors: 2 LogP: -2.02 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H]1C[C@H](C/C/1=C\C(F)(F)F)C(=O)O
  • InChi: 1S/C8H10F3NO2/c9-8(10,11)3-5-1-4(7(13)14)2-6(5)12/h3-4,6H,1-2,12H2,(H,13,14)/b5-3+/t4-,6-/m0/s1
  • InChiKey: ASCYDOBPGRSYPH-ZHTATXEXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (1S,3S,4E)-3-amino-4-(2,2,2-trifluoroethylidene)cyclopentanecarboxylic acid
  • (1S,3S,4E)-3-azanyl-4-(2,2,2-trifluoroethylidene)cyclopentane-1-carboxylic acid
  • (1S,3S,4E)-3-amino-4-(2,2,2-trifluoroethylidene)-1-cyclopentanecarboxylic acid

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
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0994 0.4382 0.4382
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.1922 1 1
Plasmodium vivax tryptophan-rich antigen (Pv-fam-a) 0.0524 0.1535 1
Toxoplasma gondii hypothetical protein 0.031 0.0241 0.0764
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0646 0.2276 0.4617
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0558 0.1742 0.1436
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0994 0.4382 0.0834
Loa Loa (eye worm) hypothetical protein 0.049 0.1332 0.0813
Mycobacterium tuberculosis Conserved hypothetical protein 0.1013 0.4493 0.5
Loa Loa (eye worm) hypothetical protein 0.0478 0.1259 0.0702
Loa Loa (eye worm) hypothetical protein 0.0563 0.1772 0.1483
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0646 0.2276 0.4617
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0994 0.4382 0.4382
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0558 0.1742 0.3251
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0646 0.2276 0.4617
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0329 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.1488 0.7369 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0994 0.4382 0.4382
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0646 0.2276 0.4617
Brugia malayi hypothetical protein 0.1488 0.7369 1
Giardia lamblia Rrm3p helicase 0.0994 0.4382 1
Loa Loa (eye worm) hypothetical protein 0.0649 0.2295 0.2279
Loa Loa (eye worm) hypothetical protein 0.0646 0.2276 0.225
Schistosoma mansoni hypothetical protein 0.0994 0.4382 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0994 0.4382 0.4382
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.091 0.3871 0.3871
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0646 0.2276 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0994 0.4382 0.5
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0994 0.4382 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.1922 1 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0558 0.1742 0.2288
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.049 0.1332 0.1727
Entamoeba histolytica hypothetical protein, conserved 0.0994 0.4382 0.5
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0649 0.2295 0.3046
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0994 0.4382 0.4382
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0558 0.1742 0.3251
Loa Loa (eye worm) hypothetical protein 0.0772 0.3036 0.3406
Trichomonas vaginalis conserved hypothetical protein 0.0994 0.4382 0.5
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0994 0.4382 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0646 0.2276 0.4617
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0478 0.1259 0.5
Brugia malayi sulfakinin receptor protein 0.1488 0.7369 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0994 0.4382 0.0834
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0646 0.2276 0.5027
Mycobacterium ulcerans hypothetical protein 0.1013 0.4493 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.1922 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.091 0.3871 0.3871

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Inhibition of pig brain GABA-AT in presence of beta-mercaptoethanol at 0.2 M ChEMBL. 17149870
Activity (binding) = 13 % Residual activity at pig brain GABA-AT assessed by exhaustive dialysis at 0.2 M after 22 hrs relative to control ChEMBL. 17149870
Activity (binding) = 13 % Residual activity at pig brain GABA-AT assessed by exhaustive dialysis at 0.2 M after 22 hrs relative to control ChEMBL. 17149870
Ki (binding) = 39.23 mM Inhibition of pig brain GABA-AT in presence of beta-mercaptoethanol ChEMBL. 17149870
Ki (binding) = 39.23 mM Inhibition of pig brain GABA-AT in presence of beta-mercaptoethanol ChEMBL. 17149870

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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