Detailed information for compound 576616

Basic information

Technical information
  • TDR Targets ID: 576616
  • Name: 6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hyd roxymethyl)tetrahydrofuran-2-yl]-1-(2-fluoroe thyl)-4H-pyrimidin-2-one
  • MW: 291.276 | Formula: C11H18FN3O5
  • H donors: 4 H acceptors: 4 LogP: -1.9 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCCN1C(=CCN(C1=O)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO)N
  • InChi: 1S/C11H18FN3O5/c12-2-4-14-7(13)1-3-15(11(14)19)10-9(18)8(17)6(5-16)20-10/h1,6,8-10,16-18H,2-5,13H2/t6-,8-,9-,10-/m1/s1
  • InChiKey: GWMCIZXKJHEBLD-PEBGCTIMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1-(2-fluoroethyl)-4H-pyrimidin-2-one
  • 6-azanyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(2-fluoroethyl)-4H-pyrimidin-2-one
  • 6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1-(2-fluoroethyl)-4H-pyrimidin-2-one
  • 6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(2-fluoroethyl)-4H-pyrimidin-2-one
  • fluoroethylcytidine
  • 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-fluoroethyl)-6H-pyrimidin-2-one
  • 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-(2-fluoroethyl)-6H-pyrimidin-2-one
  • 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3-(2-fluoroethyl)-6H-pyrimidin-2-one
  • 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3-(2-fluoroethyl)-6H-pyrimidin-2-one
  • 66401-15-8
  • Cytidine, N,4-didehydro-3-(2-fluoroethyl)-3,4-dihydro-

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
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.1035 0.1647
Loa Loa (eye worm) peptidase family M48 containing protein 0.007 0.1769 0.4706
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.1035 0.1035
Echinococcus multilocularis CAAX prenyl protease 2 0.0095 0.2635 0.4194
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.007 0.1769 0.6714
Onchocerca volvulus Huntingtin homolog 0.0127 0.376 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.2306 0.6132
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.1035 0.2752
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 0.007 0.1769 0.6714
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.007 0.1769 0.1769
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1509 0.7032
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.1275 0.3391
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 0.2146 0.2146
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.0928 0.3522
Loa Loa (eye worm) hypothetical protein 0.0056 0.1275 0.3391
Trypanosoma cruzi CAAX prenyl protease 1, putative 0.007 0.1769 0.6714
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0095 0.2635 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.1509 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.1035 0.1647
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.2146 1
Schistosoma mansoni DNA polymerase eta 0.0046 0.0928 0.0928
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0095 0.2635 0.2635
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.1275 0.203
Brugia malayi mbt repeat family protein 0.0049 0.1035 0.2752
Loa Loa (eye worm) hypothetical protein 0.0127 0.376 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.2146 0.3415
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.2146 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.1702 0.6458
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.0928 0.2468
Brugia malayi Probable ClpP-like protease 0.0081 0.2146 0.5707
Brugia malayi mbt repeat family protein 0.0049 0.1035 0.2752
Echinococcus multilocularis caax prenyl protease 1 0.007 0.1769 0.2816
Schistosoma mansoni hypothetical protein 0.0175 0.5471 0.5471
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.1164 0.1853
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.2146 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.1164 0.4744
Trypanosoma brucei CAAX amino terminal protease, putative 0.0095 0.2635 1
Echinococcus multilocularis geminin 0.0175 0.5471 0.8706
Echinococcus multilocularis dna polymerase eta 0.0046 0.0928 0.1477
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.007 0.1769 0.6714
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.1509 0.2402
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.1702 0.6458
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1509 0.7032
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.1164 0.7716
Loa Loa (eye worm) hypothetical protein 0.0081 0.2146 0.5707
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.1509 0.659
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0198 0.6284 1
Onchocerca volvulus Huntingtin homolog 0.0127 0.376 1
Echinococcus granulosus caax prenyl protease 1 0.007 0.1769 0.2816
Echinococcus granulosus geminin 0.0175 0.5471 0.8706
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.1702 0.6458
Leishmania major DNA polymerase eta, putative 0.0046 0.0928 0.3522
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0095 0.2635 0.2635
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.2146 0.5
Entamoeba histolytica CAAX prenyl protease family 0.0095 0.2635 1
Brugia malayi hypothetical protein 0.0127 0.376 1
Echinococcus granulosus dna polymerase eta 0.0046 0.0928 0.1477
Leishmania major DNA polymerase eta, putative 0.0033 0.0443 0.1682
Toxoplasma gondii CAAX metallo endopeptidase 0.007 0.1769 0.7984
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0085 0.2306 0.875
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0095 0.2635 0.7008
Loa Loa (eye worm) hypothetical protein 0.0049 0.1035 0.2752
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.1275 0.203
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.2146 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1509 0.7032
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.0443 0.0882
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.1702 0.4526
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.2146 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.1275 0.1275
Loa Loa (eye worm) hypothetical protein 0.0046 0.0928 0.2468
Giardia lamblia Hypothetical protein 0.0095 0.2635 1
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.1035 0.1647
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.1164 0.1853
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.2146 1
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0114 0.0432
Loa Loa (eye worm) MBCTL1 0.0056 0.1275 0.3391
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0689 0.1097
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.1035 0.1035
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.1509 0.2402
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.007 0.1769 0.6714
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.2146 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.1509 0.5727
Trypanosoma brucei DNA polymerase eta, putative 0.0046 0.0928 0.3522
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1509 0.1509
Loa Loa (eye worm) hypothetical protein 0.0127 0.376 1
Entamoeba histolytica CAAX prenyl protease, putative 0.007 0.1769 0.6714
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0095 0.2635 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0095 0.2635 1
Brugia malayi Peptidase family M48 containing protein 0.007 0.1769 0.4706
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0114 0.0432
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.1702 0.4526
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.1164 0.7716
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1509 0.1509
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 0.007 0.1769 0.6714
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.2146 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.1275 0.203
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0085 0.2306 0.875
Brugia malayi CAAX amino terminal protease family protein 0.0095 0.2635 0.7008
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0095 0.2635 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.2146 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.1702 0.6458
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.2146 0.3415
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0198 0.6284 1
Echinococcus granulosus transcription factor Dp 1 0.004 0.0689 0.1097
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.0443 0.1682
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.1275 0.203
Schistosoma mansoni hypothetical protein 0.0175 0.5471 0.5471
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.1702 0.2709
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.1702 0.6458
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.1035 0.1647
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.2146 0.5
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.1702 0.2709
Echinococcus granulosus CAAX prenyl protease 2 0.0095 0.2635 0.4194
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.1702 0.1702

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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