Detailed information for compound 410207

Basic information

Technical information
  • TDR Targets ID: 410207
  • Name: (1S,3S)-3-amino-4-(1,1,1,3,3,3-hexafluoroprop an-2-ylidene)cyclopentane-1-carboxylic acid
  • MW: 277.164 | Formula: C9H9F6NO2
  • H donors: 2 H acceptors: 2 LogP: -0.87 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H]1C[C@H](CC1=C(C(F)(F)F)C(F)(F)F)C(=O)O
  • InChi: 1S/C9H9F6NO2/c10-8(11,12)6(9(13,14)15)4-1-3(7(17)18)2-5(4)16/h3,5H,1-2,16H2,(H,17,18)/t3-,5-/m0/s1
  • InChiKey: CXGRSTBDABKESY-UCORVYFPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (1S,3S)-3-amino-4-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]cyclopentanecarboxylic acid
  • (1S,3S)-3-azanyl-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopentane-1-carboxylic acid
  • (1S,3S)-3-amino-4-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]cyclopentane-1-carboxylic acid
  • (1S,3S)-3-amino-4-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-1-cyclopentanecarboxylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ornithine aminotransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Ornithine aminotransferase Get druggable targets OG5_126982 All targets in OG5_126982
Mycobacterium ulcerans acetylornithine aminotransferase Get druggable targets OG5_126982 All targets in OG5_126982
Schistosoma japonicum ko:K00819 ornithine--oxo-acid transaminase [EC2.6.1.13], putative Get druggable targets OG5_126982 All targets in OG5_126982
Schistosoma mansoni ornithine--oxo-acid transaminase Get druggable targets OG5_126982 All targets in OG5_126982
Echinococcus multilocularis Aminotransferase class III Get druggable targets OG5_126982 All targets in OG5_126982
Echinococcus multilocularis ornithine aminotransferase Get druggable targets OG5_126982 All targets in OG5_126982
Echinococcus multilocularis ornithine aminotransferase Get druggable targets OG5_126982 All targets in OG5_126982
Plasmodium knowlesi ornithine aminotransferase, putative Get druggable targets OG5_126982 All targets in OG5_126982
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD Get druggable targets OG5_126982 All targets in OG5_126982
Plasmodium berghei ornithine aminotransferase, putative Get druggable targets OG5_126982 All targets in OG5_126982
Candida albicans Acetylornithine aminotransferase Get druggable targets OG5_126982 All targets in OG5_126982
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 Get druggable targets OG5_126982 All targets in OG5_126982
Neospora caninum ornithine aminotransferase, putative Get druggable targets OG5_126982 All targets in OG5_126982
Plasmodium falciparum ornithine aminotransferase Get druggable targets OG5_126982 All targets in OG5_126982
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein Get druggable targets OG5_126982 All targets in OG5_126982
Candida albicans Ornithine aminotransferase Get druggable targets OG5_126982 All targets in OG5_126982
Candida albicans corresponds to N-terminus of S. cerevisiae ARG8 and allelic CaP19.11254 Get druggable targets OG5_126982 All targets in OG5_126982
Plasmodium vivax ornithine aminotransferase, putative Get druggable targets OG5_126982 All targets in OG5_126982
Echinococcus granulosus ornithine aminotransferase Get druggable targets OG5_126982 All targets in OG5_126982
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative Get druggable targets OG5_126982 All targets in OG5_126982
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD Get druggable targets OG5_126982 All targets in OG5_126982
Plasmodium yoelii ornithine aminotransferase Get druggable targets OG5_126982 All targets in OG5_126982
Echinococcus granulosus Aminotransferase class III Get druggable targets OG5_126982 All targets in OG5_126982
Candida albicans Acetylornithine aminotransferase Get druggable targets OG5_126982 All targets in OG5_126982
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) ornithine aminotransferase 439 aa 417 aa 28.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi dehydrogenases, short chain protein 2 0.0028 0 0.5
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0054 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0028 0 0.5
Leishmania major hypothetical protein, conserved 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0028 0 0.5
Leishmania major dehydrogenase-like protein 0.0028 0 0.5
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0028 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Leishmania major oxidoreductase-like protein 0.0028 0 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0028 0 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0028 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0028 0 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0028 0 0.5
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Onchocerca volvulus 0.0028 0 0.5
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0028 0 0.5
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0054 1 1
Leishmania major short chain dehydrogenase/reductase, putative 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Leishmania major short chain dehydrogenase, putative 0.0028 0 0.5
Onchocerca volvulus 0.0028 0 0.5
Trypanosoma brucei oxidoreductase-like protein 0.0028 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0028 0 0.5
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0054 1 1
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0028 0 0.5
Onchocerca volvulus 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0 0.5
Giardia lamblia Reductase, putative 0.0028 0 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0028 0 0.5
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0054 1 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0028 0 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0028 0 0.5
Onchocerca volvulus 0.0028 0 0.5
Loa Loa (eye worm) dehydrogenase 0.0028 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0028 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0028 0 0.5
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0028 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0028 0 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0028 0 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0028 0 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0028 0 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0028 0 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0028 0 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0028 0 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Brugia malayi Retinol dehydrogenase 12 0.0028 0 0.5
Onchocerca volvulus 0.0028 0 0.5
Onchocerca volvulus 0.0028 0 0.5
Brugia malayi oxidoreductase 0.0028 0 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0028 0 0.5
Leishmania major pteridine reductase 1 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Leishmania major short chain dehydrogenase-like protein 0.0028 0 0.5
Onchocerca volvulus 0.0028 0 0.5
Leishmania major hypothetical protein, conserved 0.0028 0 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0028 0 0.5
Brugia malayi Dehydrogenases, short chain protein 2 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Plasmodium falciparum ornithine aminotransferase 0.0054 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0028 0 0.5
Brugia malayi hypothetical protein 0.0028 0 0.5
Leishmania major hypothetical protein, conserved 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0028 0 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0028 0 0.5
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0054 1 1
Onchocerca volvulus 0.0028 0 0.5
Giardia lamblia Hypothetical protein 0.0028 0 0.5
Mycobacterium ulcerans acetylornithine aminotransferase 0.0054 1 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0028 0 0.5
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0028 0 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0028 0 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0054 1 1
Trichomonas vaginalis steroid dehydrogenase, putative 0.0028 0 0.5
Onchocerca volvulus 0.0028 0 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0028 0 0.5
Echinococcus multilocularis Aminotransferase class III 0.0054 1 1
Entamoeba histolytica hypothetical protein 0.0028 0 0.5
Leishmania major 3-keto-dihydrosphingosine reductase 0.0028 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0 0.5
Leishmania major hypothetical protein, conserved 0.0028 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0028 0 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0028 0 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0 0.5
Brugia malayi hypothetical protein 0.0028 0 0.5
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0028 0 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0028 0 0.5
Onchocerca volvulus 0.0028 0 0.5
Brugia malayi dehydrogenases, short chain protein 9 0.0028 0 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0028 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0028 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0028 0 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0028 0 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0054 1 1
Brugia malayi Dehydrogenases, short chain protein 30 0.0028 0 0.5
Leishmania major short chain dehydrogenase, putative 0.0028 0 0.5
Giardia lamblia Short-chain dehydrogenase, putative 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Onchocerca volvulus Sepiapterin reductase homolog 0.0028 0 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0054 1 1
Leishmania major quinonoid dihydropteridine reductase 0.0028 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0028 0 0.5
Echinococcus granulosus ornithine aminotransferase 0.0054 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0 0.5
Onchocerca volvulus 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0028 0 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0028 0 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0028 0 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0028 0 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0028 0 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0028 0 0.5
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0028 0 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0028 0 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0028 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0028 0 0.5
Onchocerca volvulus 0.0028 0 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0028 0 0.5
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0028 0 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0028 0 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0028 0 0.5
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0028 0 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0028 0 0.5
Plasmodium vivax ornithine aminotransferase, putative 0.0054 1 1
Onchocerca volvulus 0.0028 0 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0028 0 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0028 0 0.5
Leishmania major hypothetical protein, conserved 0.0028 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0028 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0028 0 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0028 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0028 0 0.5
Loa Loa (eye worm) dehydrogenase 0.0028 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of human recombinant OAT using 1 mM alpha-ketoglutarate as substrate ChEMBL. 26288681
Activity (binding) Inhibition of human recombinant OAT using 1 mM alpha-ketoglutarate as substrate ChEMBL. 26288681
Activity (functional) = 24857 pg/ml Reduction in AFP secretion in Hep3B cells xenografted Balb/C mouse serum at 0.1 mg/kg, po administered 3 weeks after xenograft measured 14 days after treatment by ELISA (Rvb = 29155 pg/ml) ChEMBL. 26288681
Inhibition (binding) Inhibition of aspartate aminotransferase (unknown origin) at 4 mM using 5.55 mM L-aspartate as substrate ChEMBL. 26288681
Inhibition (binding) Irreversible inhibition of human recombinant OAT for 24 hrs using 0.1 mM alpha-ketoglutarate as substrate measured 48 hrs after dialysis ChEMBL. 26288681
Ki (binding) = 4.2 mM Inhibition of pig brain GABA-AT in presence of beta-mercaptoethanol ChEMBL. 17149870
Ki (binding) = 4.2 mM Inhibition of pig brain GABA-AT in presence of beta-mercaptoethanol ChEMBL. 17149870
Ki (binding) = 4.2 nM Inhibition of human recombinant OAT using 1 mM alpha-ketoglutarate as substrate ChEMBL. 26288681

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

2 literature references were collected for this gene.

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