Detailed information for compound 2077987

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 453.43 | Formula: C22H23F4N3O3
  • H donors: 1 H acceptors: 4 LogP: 1.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.Fc1ccc(cc1)CN1CCC21CCN(C2)C(=O)c1ccc(nc1)C
  • InChi: 1S/C20H22FN3O.C2HF3O2/c1-15-2-5-17(12-22-15)19(25)23-10-8-20(14-23)9-11-24(20)13-16-3-6-18(21)7-4-16;3-2(4,5)1(6)7/h2-7,12H,8-11,13-14H2,1H3;(H,6,7)
  • InChiKey: UXYHMPULPVGARL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Trichomonas vaginalis thymidine kinase, putative 0.0245 0.1676 1
Echinococcus multilocularis thymidine kinase 0.0308 0.2264 0.2235
Echinococcus granulosus thymidine kinase 0.0308 0.2264 0.2235
Leishmania major thymidine kinase, putative 0.0245 0.1676 0.5
Trichomonas vaginalis thymidine kinase, putative 0.0245 0.1676 1
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0322 0.2388 0.5
Loa Loa (eye worm) deoxynucleoside kinase 0.0069 0.0037 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0464 0.3713 0.369
Schistosoma mansoni thymidine kinase 0.0308 0.2264 1
Echinococcus granulosus thymidine kinase 0.0308 0.2264 0.2235
Trypanosoma brucei thymidine kinase 0.0245 0.1676 0.5
Schistosoma mansoni hypothetical protein 0.0177 0.1043 0.4517
Schistosoma mansoni hypothetical protein 0.0177 0.1043 0.4517
Trichomonas vaginalis thymidine kinase, putative 0.0245 0.1676 1
Mycobacterium ulcerans thymidine phosphorylase 0.1139 1 1
Echinococcus granulosus geminin 0.0177 0.1043 0.101
Entamoeba histolytica thymidine kinase, putative 0.0245 0.1676 1
Echinococcus multilocularis transfer RNA-Ile 0.0308 0.2264 0.2235
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1139 1 1
Echinococcus multilocularis thymidine phosphorylase 0.1139 1 1
Trypanosoma cruzi thymidine kinase, putative 0.0245 0.1676 0.5
Echinococcus multilocularis thymidine kinase 0.0308 0.2264 0.2235
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0308 0.2264 0.2235
Brugia malayi Deoxynucleoside kinase family protein 0.0069 0.0037 1
Trypanosoma cruzi thymidine kinase, putative 0.0245 0.1676 0.5
Echinococcus multilocularis geminin 0.0177 0.1043 0.101
Giardia lamblia Thymidine kinase 0.0245 0.1676 1

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.