Detailed information for compound 1704793

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 466.506 | Formula: C28H23FN4O2
  • H donors: 4 H acceptors: 2 LogP: 5.68 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1c(C(=O)NCCc2c[nH]c3c2cccc3)c([nH]c1C(=O)c1ccccc1)N
  • InChi: 1S/C28H23FN4O2/c29-20-12-10-17(11-13-20)23-24(27(30)33-25(23)26(34)18-6-2-1-3-7-18)28(35)31-15-14-19-16-32-22-9-5-4-8-21(19)22/h1-13,16,32-33H,14-15,30H2,(H,31,35)
  • InChiKey: DIALJVDSCCULOQ-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
Brugia malayi hypothetical protein 0.0181 0.3561 0.3579
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0356 0.8533 0.8576
Plasmodium falciparum enoyl-acyl carrier reductase 0.0179 0.3493 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0179 0.3493 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0406 0.995 1
Echinococcus multilocularis geminin 0.0172 0.331 0.3327
Loa Loa (eye worm) hypothetical protein 0.0181 0.3561 0.4173
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0179 0.3493 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0406 0.995 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0179 0.3493 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0179 0.3493 0.6784
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0179 0.3493 1
Schistosoma mansoni hypothetical protein 0.0172 0.331 0.331
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0356 0.8533 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0179 0.3493 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.0056 0 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0356 0.8533 1
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0378 0.9149 0.9149
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0179 0.3493 1
Brugia malayi prolyl oligopeptidase family protein 0.0406 0.995 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0237 0.5149 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0056 0 0.5
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0356 0.8533 0.8533
Loa Loa (eye worm) hypothetical protein 0.0225 0.48 0.5625
Giardia lamblia Alanyl dipeptidyl peptidase 0.0056 0 0.5
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0378 0.9149 0.9195
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0378 0.9149 0.9195
Entamoeba histolytica hypothetical protein, conserved 0.0056 0 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0 0.5
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0406 0.995 1
Echinococcus granulosus geminin 0.0172 0.331 0.3327
Brugia malayi prolyl oligopeptidase family protein 0.0356 0.8533 0.8576
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0406 0.995 0.995
Trichomonas vaginalis hypothetical protein 0.0179 0.3493 1
Schistosoma mansoni hypothetical protein 0.0172 0.331 0.331
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0056 0 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0406 0.995 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0406 0.995 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0406 0.995 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0356 0.8533 0.8576
Echinococcus granulosus Dipeptidyl peptidase 9 0.0406 0.995 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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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