Detailed information for compound 230843

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 311.269 | Formula: C12H14FN5O4
  • H donors: 4 H acceptors: 5 LogP: -1.44 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(C(C1O)F)n1cc(c2c1ncnc2N)C(=O)N
  • InChi: 1S/C12H14FN5O4/c13-7-8(20)5(2-19)22-12(7)18-1-4(10(15)21)6-9(14)16-3-17-11(6)18/h1,3,5,7-8,12,19-20H,2H2,(H2,15,21)(H2,14,16,17)
  • InChiKey: DPZDEWLSXRKQCU-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Plasmodium vivax dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0088 0.4411 0.5
Toxoplasma gondii dolichyl-diphosphooligosaccharide--protein glycosyltransferase 0.0088 0.4411 0.5
Schistosoma mansoni hypothetical protein 0.01 0.5479 1
Loa Loa (eye worm) hypothetical protein 0.0149 1 1
Echinococcus granulosus muscleblind protein 0.0149 1 1
Loa Loa (eye worm) hypothetical protein 0.0149 1 1
Echinococcus multilocularis muscleblind protein 0.0149 1 1
Plasmodium falciparum dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0088 0.4411 0.5
Echinococcus multilocularis muscleblind protein 1 0.0149 1 1
Trichomonas vaginalis dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0088 0.4411 0.5
Entamoeba histolytica dolichyl-di-phosphooligosaccharide-protein glycotransferase, putative 0.0088 0.4411 1
Entamoeba histolytica dolichyl-diphosphooligosaccharide-protein glycotransferase, putative 0.0088 0.4411 1
Trypanosoma brucei RNA helicase, putative 0.01 0.5479 0.5

Activities

Activity type Activity value Assay description Source Reference
Growth rate (functional) = 9 uM Antiproliferative activity in L1210 Murine Leukemia in vitro expressed as Growth rate in the presence of compound ChEMBL. 7562946
IC50 (functional) = 0.003 uM antiviral activity as 50% inhibitory concentration againstVZV ChEMBL. 7562946
IC50 (functional) = 0.0037 uM Antiviral activity as 50% inhibitory concentration against HSV-1 ChEMBL. 7562946
IC50 (binding) = 0.02 uM antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant ChEMBL. 7562946
IC50 (functional) = 0.025 uM antiviral activity in Human cytomegalovirus by plaque assay (HCMV) ChEMBL. 7562946
IC50 (functional) = 0.03 uM Antiviral activity as 50% inhibitory concentration against HSV-1 ChEMBL. 7562946
IC50 (functional) = 0.03 uM Antiviral activity as 50% inhibitory concentration against HSV-2 ChEMBL. 7562946
IC50 (functional) = 0.13 uM Cytotoxicity in human foreskin fibroblast (HFF) stationary by MTT assay ChEMBL. 7562946
IC50 (functional) = 0.16 uM Cytotoxicity in human foreskin fibroblast (HFF) stationary by MTT assay ChEMBL. 7562946
IC50 (functional) = 0.193 uM cytotoxicity in CEM-SS cells by [3H]-Thd uptake ChEMBL. 7562946
IC50 (functional) = 0.4 uM Visual cytotoxicity scored on CEM cells at time of HCMV plaque enumeration ChEMBL. 7562946
IC50 (functional) = 0.4 uM cytotoxicity in CEM-SS cells by visual inspection ChEMBL. 7562946
IC50 (functional) = 0.47 uM Antiviral activity in Herpes simplex virus-1 assayed by ELISA in quadruplicate wells ChEMBL. 7562946
IC50 (functional) = 1.9 uM cell growth inhibition was determined in KB cells in quadruplicate assays ChEMBL. 7562946
IC50 (functional) = 3.2 uM antiproliferative activity in L1210 Murine Leukemia in vitro expressed as concentration required to decrease growth rate to 50% of control ChEMBL. 7562946
IC50 (functional) = 5.5 uM Visual cytotoxicity scored on HFF cells at time of HCMV plaque enumeration ChEMBL. 7562946
IC50 (functional) = 6.7 uM Cytotoxicity in human foreskin fibroblast (HFF) stationary cells as neutral red uptake ChEMBL. 7562946
IC90 (functional) = 0.075 uM antiviral activity in Human cytomegalovirus by plaque assay given as yield ChEMBL. 7562946

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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