Detailed information for compound 335326

Basic information

Technical information
  • TDR Targets ID: 335326
  • Name: 2-amino-9-[(1S,4R)-2-fluoro-4-(hydroxymethyl) cyclopent-2-en-1-yl]-3H-purin-6-one
  • MW: 265.244 | Formula: C11H12FN5O2
  • H donors: 3 H acceptors: 5 LogP: -0.2 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1C=C([C@H](C1)n1cnc2c1nc(N)nc2O)F
  • InChi: 1S/C11H12FN5O2/c12-6-1-5(3-18)2-7(6)17-4-14-8-9(17)15-11(13)16-10(8)19/h1,4-5,7,18H,2-3H2,(H3,13,15,16,19)/t5-,7-/m0/s1
  • InChiKey: AWYDSHIZEMQIKZ-FSPLSTOPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-9-[(1S,4R)-2-fluoro-4-(hydroxymethyl)-1-cyclopent-2-enyl]-3H-purin-6-one
  • 2-azanyl-9-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one
  • 2-amino-9-[(1S,4R)-2-fluoro-4-methylol-cyclopent-2-en-1-yl]-3H-purin-6-one
  • 2-amino-9-[(1S,4R)-2-fluoro-4-methylol-1-cyclopent-2-enyl]-3H-purin-6-one
  • ( - )-6H-Purin-6-one, 2-amino-9-[(1S,4R)-2-fluoro-4-(hydroxymethyl)-2-cyclopenten-1-yl]-1,9-dihydro-
  • AIDS-292557
  • AIDS292557
  • L-2'F-C-d4G

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 kinetoplastid kinetochore protein 19, putative 0.0059 0.0551 1
Brugia malayi Protein kinase domain containing protein 0.0012 0.0032 0.0052
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0012 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0047
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0059 0.0551 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.006 0.0567 0.0919
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0012 0.0029 0.0047
Echinococcus multilocularis roundabout 2 0.006 0.0569 0.0923
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0047
Echinococcus multilocularis roundabout 2 0.0012 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0047
Brugia malayi Fibronectin type III domain containing protein 0.0048 0.0432 0.0701
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0012 0.0029 0.0047
Schistosoma mansoni cell adhesion molecule 0.0012 0.0029 0.0047
Brugia malayi hypothetical protein 0.0039 0.0329 0.0534
Echinococcus granulosus defective proboscis extension response 0.0048 0.0432 0.0432
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0022 0.0035
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0029 0.0047
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0012 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0047
Echinococcus granulosus roundabout 2 0.006 0.0569 0.0569
Schistosoma mansoni cell adhesion molecule 0.0012 0.0029 0.0047
Entamoeba histolytica phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase, putative 0.0056 0.0515 1
Echinococcus granulosus hemicentin 1 0.0012 0.0029 0.0029
Schistosoma mansoni nephrin 0.0012 0.0029 0.0047
Leishmania major protein kinase, putative 0.0059 0.0551 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0012 0.0022 0.0035
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0012 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.0054 0.0503 0.0816
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0012 0.0029 0.0138
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.006 0.0569 0.0923
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0012 0.0029 0.0047
Echinococcus multilocularis peroxidasin 0.0012 0.0029 0.0047
Entamoeba histolytica hypothetical protein 0.0056 0.0515 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0196 0.2086 1
Echinococcus multilocularis hemicentin 1 0.0012 0.0029 0.0047
Echinococcus multilocularis hemicentin 1 0.0012 0.0029 0.0047
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0059 0.0551 0.0894
Schistosoma mansoni nephrin 0.0054 0.0498 0.0808
Schistosoma mansoni atypical protein kinase C 0.0012 0.0032 0.0052
Echinococcus granulosus lachesin 0.0012 0.0029 0.0029
Onchocerca volvulus Tyrosine kinase homolog 0.0012 0.0022 0.0104
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0551 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0054 0.0503 0.0503
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0329 0.0534
Loa Loa (eye worm) hypothetical protein 0.0048 0.0432 0.0701
Loa Loa (eye worm) hypothetical protein 0.0056 0.0515 0.0836
Schistosoma mansoni hypothetical protein 0.0039 0.0329 0.0534
Echinococcus granulosus contactin 0.0012 0.0029 0.0029
Echinococcus multilocularis roundabout 2 0.0012 0.0029 0.0047
Onchocerca volvulus 0.0012 0.0032 0.0154
Schistosoma mansoni cell adhesion molecule 0.0012 0.0029 0.0047
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0012 0.0029 0.0047
Schistosoma mansoni pten 0.0056 0.0515 0.0836
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0047
Echinococcus granulosus tyrosine protein kinase otk 0.0012 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0048 0.0432 0.0701
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0012 0.0022 0.0022
Schistosoma mansoni titin 0.0012 0.0029 0.0047
Schistosoma mansoni tyrosine kinase 0.0018 0.0093 0.015
Loa Loa (eye worm) hypothetical protein 0.0048 0.0432 0.0701
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0329 0.0534
Echinococcus granulosus roundabout 2 0.0012 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.006 0.0569 0.0923
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0029 0.0047
Echinococcus granulosus neuroglian 0.0054 0.0498 0.0498
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0059 0.0551 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0012 0.0029 0.0047
Schistosoma mansoni roundabout 0.0012 0.0029 0.0047
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0048 0.0432 0.0701
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0015 0.0064 0.0104
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0047
Brugia malayi Prion-like- 0.0012 0.0029 0.0047
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0029 0.0047
Plasmodium falciparum protein serine/threonine kinase-1 0.0059 0.0551 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0047
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0029 0.0047
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0059 0.0551 1
Echinococcus granulosus phosphatase and tensin 0.0056 0.0515 0.0515
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0047
Echinococcus multilocularis Immunoglobulin 0.0048 0.0432 0.0701
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0551 0.0894
Brugia malayi daf-18 protein 0.0056 0.0515 0.0836
Echinococcus multilocularis Immunoglobulin 0.0048 0.0432 0.0701
Schistosoma mansoni tensin 0.0056 0.0515 0.0836
Brugia malayi Protein kinase domain containing protein 0.0059 0.0551 0.0894
Brugia malayi Protein kinase domain containing protein 0.0559 0.6165 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0432 0.0701
Schistosoma mansoni septate junction protein 0.0012 0.0029 0.0047
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0059 0.0551 1
Echinococcus granulosus hypothetical protein 0.0056 0.0516 0.0516
Plasmodium vivax serine/threonine kinase-1, putative 0.0059 0.0551 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0048 0.0432 0.0701
Loa Loa (eye worm) hypothetical protein 0.0056 0.0516 0.0837
Loa Loa (eye worm) hypothetical protein 0.0501 0.5506 0.8932
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0012 0.0032 0.0052
Echinococcus granulosus roundabout 2 0.0012 0.0029 0.0029
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0012 0.0029 0.0029
Schistosoma mansoni vesicular amine transporter 0.0048 0.0432 0.0701
Schistosoma mansoni septate junction protein 0.0012 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.0048 0.0432 0.0701
Brugia malayi Immunoglobulin I-set domain containing protein 0.0048 0.0432 0.0701
Loa Loa (eye worm) hypothetical protein 0.0048 0.0432 0.0701
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0059 0.0551 0.5
Schistosoma mansoni cell adhesion molecule 0.0054 0.0503 0.0816
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0012 0.0029 0.0047
Echinococcus granulosus peroxidasin 0.0012 0.0029 0.0029
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0029 0.0047
Echinococcus granulosus dual specificity protein kinase clk2 0.0059 0.0551 0.0551
Echinococcus multilocularis tyrosine protein kinase otk 0.0012 0.0029 0.0047
Loa Loa (eye worm) STE/STE11/MEKK2 protein kinase 0.0012 0.0032 0.0052
Loa Loa (eye worm) TK protein kinase 0.0012 0.0022 0.0035
Echinococcus multilocularis neuroglian 0.0054 0.0498 0.0808
Brugia malayi Immunoglobulin I-set domain containing protein 0.006 0.0567 0.0919
Leishmania major protein kinase, putative 0.0059 0.0551 1
Schistosoma mansoni neuroglian 0.0012 0.0029 0.0047
Giardia lamblia Kinase, CMGC CLK 0.0059 0.0551 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0012 0.0029 0.0047
Echinococcus multilocularis 0.0056 0.0516 0.0837
Echinococcus granulosus cyclin g associated kinase 0.0559 0.6165 0.6165
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0056 0.0515 1
Echinococcus granulosus Immunoglobulin 0.0048 0.0432 0.0432
Echinococcus multilocularis neuroglian 0.0012 0.0029 0.0047
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0012 0.0022 0.0035
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0059 0.0551 1
Brugia malayi hypothetical protein 0.0048 0.0432 0.0701
Echinococcus multilocularis phosphatase and tensin 0.0056 0.0515 0.0836
Echinococcus multilocularis lachesin 0.0012 0.0029 0.0047
Echinococcus multilocularis dual specificity protein kinase clk2 0.0059 0.0551 0.0894
Echinococcus granulosus twitchin 0.0057 0.0533 0.0533
Schistosoma mansoni serine/threonine protein kinase 0.0559 0.6165 1
Loa Loa (eye worm) NAK/GAK protein kinase 0.0559 0.6165 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0048 0.0432 0.0701
Echinococcus multilocularis cyclin g associated kinase 0.0559 0.6165 1
Brugia malayi N-terminal motif family protein 0.0196 0.2086 0.3383
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0029 0.0047
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.0196 0.2086 0.3383
Brugia malayi Peroxidasin 0.0012 0.0029 0.0047
Echinococcus granulosus neuroglian 0.0012 0.0029 0.0029
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0551 0.0894

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 100 uM Effective concentration to inhibit HIV-1 activity in human peripheral blood mononuclear cells ChEMBL. 15916425
EC50 (functional) > 100 uM Effective concentration to inhibit HIV-1 activity in human peripheral blood mononuclear cells ChEMBL. 15916425
IC50 (functional) > 100 uM Inhibitory concentration was determined against PHA stimulated human peripheral blood mononuclear cells ChEMBL. 15916425
IC50 (functional) > 100 uM Inhibitory concentration of the compound was determined against CEM cell line ChEMBL. 15916425
IC50 (functional) > 100 uM Inhibitory concentration of the compound was determined against uninfected Vero cells ChEMBL. 15916425
IC50 (functional) > 100 uM Inhibitory concentration was determined against PHA stimulated human peripheral blood mononuclear cells ChEMBL. 15916425
IC50 (functional) > 100 uM Inhibitory concentration of the compound was determined against CEM cell line ChEMBL. 15916425

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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