Detailed information for compound 1847453

Basic information

Technical information
  • TDR Targets ID: 1847453
  • Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol an-2-yl]-6-pentylfuro[2,3-d]pyrimidin-2-one
  • MW: 322.356 | Formula: C16H22N2O5
  • H donors: 2 H acceptors: 3 LogP: 1.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCc1oc2c(c1)cn(c(=O)n2)[C@H]1C[C@@H]([C@H](O1)CO)O
  • InChi: 1S/C16H22N2O5/c1-2-3-4-5-11-6-10-8-18(16(21)17-15(10)22-11)14-7-12(20)13(9-19)23-14/h6,8,12-14,19-20H,2-5,7,9H2,1H3/t12-,13+,14+/m0/s1
  • InChiKey: WCQCKZORCUABGT-BFHYXJOUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-pentyl-furo[2,3-d]pyrimidin-2-one
  • 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-pentyl-2-furo[2,3-d]pyrimidinone
  • 6-amyl-3-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]furo[2,3-d]pyrimidin-2-one
  • 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-pentyl-furo[2,3-d]pyrimidin-2-one
  • 3-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-pentyl-3H-furo[2,3-d]pyrimidin-2-one
  • AIDS-121278
  • AIDS121278

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 protein-tyrosine phosphatase Lar-like precursor, putative 0.0156 0.6042 1
Echinococcus multilocularis anosmin 1 0.0156 0.6042 0.6042
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0156 0.6042 0.6042
Echinococcus granulosus Netrin receptor DCC 0.0156 0.6042 0.6042
Schistosoma mansoni cell adhesion molecule 0.0156 0.6042 0.6042
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0156 0.6042 0.6042
Onchocerca volvulus 0.0156 0.6042 1
Schistosoma mansoni titin 0.0156 0.6042 0.6042
Brugia malayi Fibronectin type III domain containing protein 0.0156 0.6042 1
Schistosoma mansoni nephrin 0.0156 0.6042 0.6042
Loa Loa (eye worm) myotactin form A 0.0156 0.6042 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Echinococcus multilocularis roundabout 2 0.0156 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Echinococcus granulosus G1Y162 protein 0.0156 0.6042 0.6042
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0156 0.6042 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0156 0.6042 0.6042
Brugia malayi Fibronectin type III domain containing protein 0.0156 0.6042 1
Echinococcus granulosus anosmin 1 0.0156 0.6042 0.6042
Onchocerca volvulus 0.0156 0.6042 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0202 1 1
Schistosoma mansoni hypothetical protein 0.0156 0.6042 0.6042
Echinococcus granulosus roundabout 2 0.0156 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0156 0.6042 0.6042
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0156 0.6042 0.6042
Onchocerca volvulus 0.0156 0.6042 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0156 0.6042 0.5
Echinococcus granulosus nephrin 0.0156 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Onchocerca volvulus 0.0156 0.6042 1
Brugia malayi SPRY domain containing protein 0.0156 0.6042 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0156 0.6042 1
Echinococcus multilocularis usherin 0.0156 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0156 0.6042 1
Onchocerca volvulus 0.0156 0.6042 1
Echinococcus granulosus usherin 0.0156 0.6042 0.6042
Brugia malayi Lethal protein 805 0.0156 0.6042 1
Onchocerca volvulus 0.0156 0.6042 1
Echinococcus granulosus anosmin 1 0.0156 0.6042 0.6042
Echinococcus granulosus Fibronectin type III domain containing protein 0.0156 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Brugia malayi hypothetical protein 0.0156 0.6042 1
Schistosoma mansoni hypothetical protein 0.0156 0.6042 0.6042
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0156 0.6042 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Onchocerca volvulus 0.0156 0.6042 1
Trypanosoma cruzi hypothetical protein, conserved 0.0156 0.6042 0.5
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0156 0.6042 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0156 0.6042 0.6042
Schistosoma mansoni tripartite motif protein trim9 0.0156 0.6042 0.6042
Onchocerca volvulus 0.0156 0.6042 1
Onchocerca volvulus 0.0156 0.6042 1
Brugia malayi Fibronectin type III domain containing protein 0.0156 0.6042 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0156 0.6042 0.6042
Schistosoma mansoni factor for adipocyte differentiation 0.0156 0.6042 0.6042
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0156 0.6042 1
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0156 0.6042 0.5
Brugia malayi myotactin form A 0.0156 0.6042 1
Schistosoma mansoni myosin-binding protein-related 0.0156 0.6042 0.6042
Schistosoma mansoni hypothetical protein 0.0156 0.6042 0.6042
Brugia malayi Fibronectin type III domain containing protein 0.0156 0.6042 1
Echinococcus multilocularis Netrin receptor DCC 0.0156 0.6042 0.6042
Brugia malayi Lethal protein 805 0.0156 0.6042 1
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0156 0.6042 0.5
Echinococcus granulosus titin 0.0156 0.6042 0.6042
Echinococcus multilocularis anosmin 1 0.0156 0.6042 0.6042
Echinococcus multilocularis anosmin 1 0.0156 0.6042 0.6042
Schistosoma mansoni titin 0.0156 0.6042 0.6042
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0156 0.6042 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0156 0.6042 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0156 0.6042 0.6042
Echinococcus multilocularis roundabout 2 0.0156 0.6042 0.6042
Loa Loa (eye worm) UNCoordinated family member 0.0156 0.6042 1
Brugia malayi Protein-tyrosine phosphatase 0.0156 0.6042 1
Echinococcus multilocularis transfer RNA-Phe 0.0156 0.6042 0.6042
Schistosoma mansoni cell adhesion molecule 0.0156 0.6042 0.6042
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0156 0.6042 0.6042
Schistosoma mansoni protein tyrosine phosphatase 0.0156 0.6042 0.6042
Echinococcus multilocularis titin 0.0156 0.6042 0.6042
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0156 0.6042 0.6042
Schistosoma mansoni cell adhesion molecule 0.0156 0.6042 0.6042
Loa Loa (eye worm) lethal protein 805 0.0156 0.6042 1
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0156 0.6042 0.6042
Onchocerca volvulus 0.0156 0.6042 1
Schistosoma mansoni neuroglian 0.0156 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Echinococcus granulosus fibronectin type III domain-containing protein 0.0156 0.6042 0.6042
Leishmania major hypothetical protein, conserved 0.0156 0.6042 0.5
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0156 0.6042 0.6042
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0156 0.6042 0.6042
Brugia malayi myotactin form B 0.0156 0.6042 1
Echinococcus granulosus cell adhesion molecule 0.0156 0.6042 0.6042
Loa Loa (eye worm) CAMK protein kinase 0.0156 0.6042 1
Echinococcus multilocularis Fibronectin, type III 0.0156 0.6042 0.6042
Brugia malayi Fibronectin type III domain containing protein 0.0156 0.6042 1
Echinococcus multilocularis titin 0.0156 0.6042 0.6042
Onchocerca volvulus 0.0156 0.6042 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0156 0.6042 0.6042
Echinococcus granulosus Fibronectin type III 0.0156 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Brugia malayi protein unc-22 0.0156 0.6042 1
Brugia malayi Fibronectin type III domain containing protein 0.0156 0.6042 1
Echinococcus multilocularis cell adhesion molecule 0.0156 0.6042 0.6042
Echinococcus granulosus roundabout 2 0.0156 0.6042 0.6042
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0156 0.6042 0.6042
Brugia malayi hypothetical protein 0.0156 0.6042 1
Schistosoma mansoni hemicentin 0.0156 0.6042 0.6042
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0156 0.6042 1
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0156 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0156 0.6042 0.6042
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0156 0.6042 0.6042
Onchocerca volvulus 0.0156 0.6042 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Schistosoma mansoni cell adhesion molecule 0.0156 0.6042 0.6042
Echinococcus multilocularis roundabout 2 0.0156 0.6042 0.6042
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0156 0.6042 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0156 0.6042 0.6042
Schistosoma mansoni cell adhesion molecule 0.0156 0.6042 0.6042
Echinococcus granulosus contactin 0.0156 0.6042 0.6042
Echinococcus granulosus roundabout 2 0.0156 0.6042 0.6042
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Echinococcus multilocularis neuroglian 0.0156 0.6042 0.6042
Echinococcus granulosus titin 0.0156 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Schistosoma mansoni ephrin receptor 0.0202 1 1
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0156 0.6042 0.6042
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0156 0.6042 0.6042
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0156 0.6042 1
Loa Loa (eye worm) projectin 0.0156 0.6042 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Schistosoma mansoni nephrin 0.0156 0.6042 0.6042
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.6042 1
Onchocerca volvulus 0.0156 0.6042 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0156 0.6042 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0156 0.6042 1
Echinococcus granulosus Netrin receptor DCC 0.0156 0.6042 0.6042
Echinococcus multilocularis Netrin receptor DCC 0.0156 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Schistosoma mansoni titin 0.0156 0.6042 0.6042
Schistosoma mansoni factor for adipocyte differentiation 0.0156 0.6042 0.6042
Onchocerca volvulus 0.0156 0.6042 1
Echinococcus granulosus neuroglian 0.0156 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.6042 1
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0156 0.6042 0.6042
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0156 0.6042 0.6042
Schistosoma mansoni serine/threonine protein kinase 0.0156 0.6042 0.6042
Schistosoma mansoni factor for adipocyte differentiation 0.0156 0.6042 0.6042
Echinococcus granulosus EG95 0.0156 0.6042 0.6042
Echinococcus granulosus anosmin 1 0.0156 0.6042 0.6042

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 50 uM Cytotoxic concentration required to inhibit HEL cell growth by 50 % ChEMBL. 11212118
IC50 (functional) > 50 uM Compound was evaluated for the anti-viral activity against HEL cells ChEMBL. 10579812
MCC (functional) > 50 uM Compound was evaluated for the cytotoxicity against HEL cells ChEMBL. 10579812
MCC (functional) > 50 uM Minimum cytotoxic concentration required to alter microscopically detectable HEL cell morphology ChEMBL. 11212118

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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