Detailed information for compound 1153990

Basic information

Technical information
  • TDR Targets ID: 1153990
  • Name: (2S,3S)-3-amino-1-(azetidin-1-yl)-2-[4-(4-flu orophenyl)phenyl]-4-[(3S)-3-fluoropyrrolidin- 1-yl]butane-1,4-dione
  • MW: 413.46 | Formula: C23H25F2N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.37 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: F[C@H]1CCN(C1)C(=O)[C@H]([C@@H](C(=O)N1CCC1)c1ccc(cc1)c1ccc(cc1)F)N
  • InChi: 1S/C23H25F2N3O2/c24-18-8-6-16(7-9-18)15-2-4-17(5-3-15)20(22(29)27-11-1-12-27)21(26)23(30)28-13-10-19(25)14-28/h2-9,19-21H,1,10-14,26H2/t19-,20-,21-/m0/s1
  • InChiKey: AXDYSSRQYCQELF-ACRUOGEOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S,3S)-3-amino-1-(1-azetidinyl)-2-[4-(4-fluorophenyl)phenyl]-4-[(3S)-3-fluoro-1-pyrrolidinyl]butane-1,4-dione

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
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0113 0.0113
Brugia malayi steroid hormone receptor 0.001 0.0113 0.0113
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0113 0.0113
Echinococcus granulosus ferritin 0.0009 0.0055 0.0055
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0113 0.0113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0113 0.0113
Schistosoma mansoni hypothetical protein 0.0016 0.0452 0.0452
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0113 0.0113
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0113 0.0113
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1581 0.5
Schistosoma mansoni thyroid hormone receptor 0.001 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.001 0.0113 0.0113
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0113 0.0113
Entamoeba histolytica hypothetical protein 0.0037 0.1662 1
Echinococcus multilocularis ferritin 0.0009 0.0055 0.0055
Brugia malayi ecdysteroid receptor 0.001 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.001 0.0113 0.0113
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.1581 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.1364 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0113 0.0113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0113 0.0113
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0113 0.5
Schistosoma mansoni inositol monophosphatase 0.0036 0.1581 0.1581
Schistosoma mansoni hypothetical protein 0.0016 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.001 0.0113 0.0113
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1581 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0452 0.0452
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.6737 0.6737
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0181 1 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.1581 0.1581
Loa Loa (eye worm) hypothetical protein 0.001 0.0113 0.0113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0113 0.0113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0181 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0113 0.0113
Schistosoma mansoni ferritin 0.0009 0.0055 0.0055
Schistosoma mansoni ferritin light chain 0.0009 0.0055 0.0055
Entamoeba histolytica hypothetical protein 0.0037 0.1662 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1581 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0052 0.2493 0.2493
Brugia malayi RNA binding protein 0.0066 0.3343 0.3343
Schistosoma mansoni ferritin 0.0009 0.0055 0.0055
Loa Loa (eye worm) inositol-1 0.0036 0.1581 0.1581
Brugia malayi Inositol-1 0.0036 0.1581 0.1581
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0113 0.0113
Echinococcus granulosus tar DNA binding protein 0.0066 0.3343 0.3343
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0113 0.0113
Brugia malayi nuclear hormone receptor 0.001 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0113 0.0113
Echinococcus multilocularis tar DNA binding protein 0.0066 0.3343 0.3343
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0113 0.0113
Echinococcus multilocularis expressed protein 0.0009 0.0055 0.0055
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1581 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0452 0.0452
Schistosoma mansoni hypothetical protein 0.0016 0.0452 0.0452
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0113 0.5
Brugia malayi MH2 domain containing protein 0.0125 0.6737 0.6737
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1548 0.1548
Loa Loa (eye worm) RNA binding protein 0.0066 0.3343 0.3343
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0181 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0181 1 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.1364 1
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.1581 0.1581
Loa Loa (eye worm) hypothetical protein 0.001 0.0113 0.0113
Schistosoma mansoni apoferritin-2 0.0009 0.0055 0.0055
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1581 0.5
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0452 0.0452
Echinococcus granulosus expressed protein 0.0009 0.0055 0.0055
Schistosoma mansoni nuclear hormone receptor 0.001 0.0113 0.0113
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3343 0.3343
Loa Loa (eye worm) hypothetical protein 0.001 0.0113 0.0113
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0113 0.0113
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3343 0.3343
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0113 0.0113
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0113 0.0113
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0113 0.0113
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0113 0.0113
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0113 0.0113
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.1662 0.1662
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.1581 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3343 0.3343
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0113 0.0113
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1581 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0113 0.0113
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0113 0.0113
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0113 0.0113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0181 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0113 0.0113
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.3343 0.3343
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.1662 0.1662
Loa Loa (eye worm) hypothetical protein 0.0016 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.001 0.0113 0.0113
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0113 0.0113
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.2493 0.2493
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0113 0.0113
Entamoeba histolytica hypothetical protein 0.0037 0.1662 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0113 0.0113
Schistosoma mansoni ferritin light chain 0.0009 0.0055 0.0055
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0113 0.0113
Schistosoma mansoni thyroid hormone receptor 0.001 0.0113 0.0113
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0113 0.0113
Echinococcus multilocularis GPCR, family 2 0.0016 0.0452 0.0452
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0452 0.0452
Schistosoma mansoni hypothetical protein 0.0016 0.0452 0.0452
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3343 0.3343
Schistosoma mansoni hypothetical protein 0.0037 0.1662 0.1662
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0181 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0113 0.0113
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.1662 0.1662
Schistosoma mansoni inositol monophosphatase 0.0036 0.1581 0.1581
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3343 0.3343
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0113 0.0113
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0113 0.0113
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0452 0.0452
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0113 0.0113
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0113 0.0113
Echinococcus granulosus GPCR family 2 0.0016 0.0452 0.0452
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0113 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.1662 1
Schistosoma mansoni coup transcription factor 0.001 0.0113 0.0113
Brugia malayi nuclear receptor NHR-88 0.001 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0113 0.0113
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0055 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.1581 1
Brugia malayi TAR-binding protein 0.0066 0.3343 0.3343
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0113 0.0113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0113 0.0113
Schistosoma mansoni hypothetical protein 0.0035 0.1548 0.1548
Schistosoma mansoni ferritin 0.0009 0.0055 0.0055
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0452 0.0452
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0452 0.0452
Echinococcus granulosus FTZ F1 alpha 0.001 0.0113 0.0113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0181 1 1
Loa Loa (eye worm) TAR-binding protein 0.0066 0.3343 0.3343
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.2493 0.2493
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0113 0.0113
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0113 0.0113
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.2493 0.2493
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.6737 0.6737
Schistosoma mansoni ferritin 0.0009 0.0055 0.0055
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.3343 0.3343
Loa Loa (eye worm) hypothetical protein 0.001 0.0113 0.0113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0181 1 1
Onchocerca volvulus 0.001 0.0113 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0113 0.0113
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.1581 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.1548 0.1548
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0113 0.0113
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0113 0.0113
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0113 0.0113
Schistosoma mansoni apoferritin-2 0.0009 0.0055 0.0055
Brugia malayi hypothetical protein 0.0037 0.1662 0.1662

Activities

No activities found for this compound.

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

No literature references available for this target.

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