Detailed information for compound 1697011

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.456 | Formula: C22H24FN5O3
  • H donors: 2 H acceptors: 5 LogP: 2.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H](CC[C@@H]1NC(=O)c1ccc(cc1)F)CCn1nnc(c1)c1ccccn1
  • InChi: 1S/C22H24FN5O3/c23-16-6-4-15(5-7-16)22(30)25-19-9-8-17(31-21(19)14-29)10-12-28-13-20(26-27-28)18-3-1-2-11-24-18/h1-7,11,13,17,19,21,29H,8-10,12,14H2,(H,25,30)/t17-,19-,21+/m0/s1
  • InChiKey: JEWVOUSHTDFCPR-HFSMHLIXSA-N  


Substructure search Similarity search

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
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0014 0.5
Echinococcus multilocularis microtubule associated protein 2 0.1469 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0068 1
Echinococcus granulosus protein tyrosine kinase 0.0849 0.5726 0.572
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0136 0.0814 0.0801
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0014 0.5
Schistosoma mansoni microtubule-associated protein tau 0.1469 1 1
Schistosoma mansoni thyroid hormone receptor 0.0147 0.0889 0.0877
Echinococcus granulosus microsomal glutathione S transferase 3 0.0788 0.5306 0.5299
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0014 0.0024
Brugia malayi hypothetical protein 0.0028 0.0068 0.0118
Loa Loa (eye worm) TK/FAK protein kinase 0.0859 0.5796 1
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0068 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0068 1
Echinococcus multilocularis protein tyrosine kinase 0.0849 0.5726 0.572
Schistosoma mansoni thyroid hormone receptor 0.0147 0.0889 0.0877
Schistosoma mansoni microsomal glutathione s-transferase 0.0788 0.5306 0.5299
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0788 0.5306 0.5299
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0014 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0068 1
Loa Loa (eye worm) hypothetical protein 0.0316 0.2055 0.353
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0014 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0136 0.0814 0.0801
Schistosoma mansoni hypothetical protein 0.0188 0.1171 0.1159
Onchocerca volvulus 0.0316 0.2055 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0068 1
Echinococcus granulosus geminin 0.0188 0.1171 0.1159
Leishmania major hypothetical protein, conserved 0.0028 0.0068 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0068 0.0094
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0014 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0068 1
Brugia malayi Protein kinase domain containing protein 0.0859 0.5796 1
Brugia malayi hypothetical protein 0.0316 0.2055 0.3546
Echinococcus multilocularis thyroid hormone receptor alpha 0.0147 0.0889 0.0877
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0788 0.5306 0.5299
Echinococcus multilocularis geminin 0.0188 0.1171 0.1159
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0014 0.5
Toxoplasma gondii MAPEG family protein 0.0788 0.5306 1
Schistosoma mansoni hypothetical protein 0.0136 0.0814 0.0801
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0068 0.0102
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0014 0.5
Schistosoma mansoni hypothetical protein 0.0188 0.1171 0.1159
Schistosoma mansoni tyrosine kinase 0.0849 0.5726 0.572
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0014 0.5

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.

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