Detailed information for compound 1751945

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 423.48 | Formula: C24H26FN3O3
  • H donors: 2 H acceptors: 3 LogP: 4.33 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1C(=O)Nc2c(C(=O)N1C1CCCCC1)cccc2)NCCc1ccccc1F
  • InChi: 1S/C24H26FN3O3/c25-19-12-6-4-8-16(19)14-15-26-22(29)21-23(30)27-20-13-7-5-11-18(20)24(31)28(21)17-9-2-1-3-10-17/h4-8,11-13,17,21H,1-3,9-10,14-15H2,(H,26,29)(H,27,30)
  • InChiKey: BUFDZHVQBGZENL-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
Toxoplasma gondii PAN domain-containing protein 0.1853 0.7089 1
Mycobacterium ulcerans hypothetical protein 0.0156 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0231 0.0312 0.0898
Onchocerca volvulus 0.083 0.2815 0.8117
Echinococcus granulosus laminin 0.0231 0.0312 0.0706
Loa Loa (eye worm) hypothetical protein 0.0231 0.0312 0.0898
Loa Loa (eye worm) hypothetical protein 0.0231 0.0312 0.0898
Loa Loa (eye worm) hypothetical protein 0.0987 0.3468 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0231 0.0312 0.0898
Onchocerca volvulus Arrow homolog 0.0231 0.0312 0.0898
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1213 0.4414 1
Toxoplasma gondii PAN domain-containing protein 0.1853 0.7089 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.0312 0.0898
Trypanosoma cruzi hypothetical protein, conserved 0.255 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.1213 0.4414 1
Brugia malayi Trypsin family protein 0.0987 0.3468 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0987 0.3468 1
Trypanosoma cruzi hypothetical protein, conserved 0.255 1 0.5
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0231 0.0312 0.0898
Schistosoma mansoni egf-like domain protein 0.0231 0.0312 0.0898
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0231 0.0312 0.0898
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0231 0.0312 0.0898
Onchocerca volvulus 0.0987 0.3468 1
Echinococcus granulosus Tolloid protein 1 0.0231 0.0312 0.0706
Brugia malayi Calcium binding EGF domain containing protein 0.0231 0.0312 0.0898
Loa Loa (eye worm) hypothetical protein 0.0231 0.0312 0.0898
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0987 0.3468 1
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0231 0.0312 0.0898
Echinococcus multilocularis Tolloid protein 1 0.0231 0.0312 0.0706
Echinococcus multilocularis laminin 0.0231 0.0312 0.0706
Loa Loa (eye worm) hypothetical protein 0.0987 0.3468 1
Echinococcus multilocularis fibrillin 1 0.0231 0.0312 0.0706
Brugia malayi Fibulin-1 precursor 0.0231 0.0312 0.0898

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

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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