Detailed information for compound 954800

Basic information

Technical information
  • TDR Targets ID: 954800
  • Name: (1E,4E)-1,5-bis(4-nitrophenyl)penta-1,4-dien- 3-one
  • MW: 324.288 | Formula: C17H12N2O5
  • H donors: 0 H acceptors: 5 LogP: 3.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C17H12N2O5/c20-17(11-5-13-1-7-15(8-2-13)18(21)22)12-6-14-3-9-16(10-4-14)19(23)24/h1-12H/b11-5+,12-6+
  • InChiKey: GAYVSOQPSTXBFI-YDWXAUTNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,5-bis(4-nitrophenyl)penta-1,4-dien-3-one
  • ZINC01883495

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 Corticotropin releasing factor receptor 2 precursor, putative 0.0254 0.1932 0.1932
Echinococcus multilocularis GPCR, family 2 0.008 0.0519 0.0519
Brugia malayi TAR-binding protein 0.0062 0.0371 0.0371
Brugia malayi Latrophilin receptor protein 2 0.008 0.0519 0.0519
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.008 0.0519 0.0519
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.008 0.0519 0.0519
Brugia malayi latrophilin 2 splice variant baaae 0.0174 0.1278 0.1278
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0371 0.0371
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0371 0.0371
Brugia malayi hypothetical protein 0.0025 0.007 0.007
Brugia malayi RNA binding protein 0.0062 0.0371 0.0371
Loa Loa (eye worm) hypothetical protein 0.008 0.0519 0.0519
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.007 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.0371 0.0371
Leishmania major hypothetical protein, conserved 0.0025 0.007 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0254 0.1932 0.1932
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0371 0.0371
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.008 0.0519 0.0519
Echinococcus granulosus bifunctional protein NCOAT 0.1246 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.007 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0371 0.0371
Echinococcus granulosus GPCR family 2 0.008 0.0519 0.0519
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0371 0.0371
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.007 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.008 0.0519 0.0519
Schistosoma mansoni hypothetical protein 0.0174 0.1278 0.1278
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.007 1
Loa Loa (eye worm) hyaluronidase 0.1246 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0371 0.0371
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0371 0.0371
Schistosoma mansoni hypothetical protein 0.008 0.0519 0.0519
Schistosoma mansoni hypothetical protein 0.008 0.0519 0.0519
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.007 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.007 0.007
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.008 0.0519 0.0519
Schistosoma mansoni hypothetical protein 0.008 0.0519 0.0519
Loa Loa (eye worm) RNA binding protein 0.0062 0.0371 0.0371
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0371 0.0371
Echinococcus multilocularis bifunctional protein NCOAT 0.1246 1 1
Schistosoma mansoni Hyaluronidase 0.1246 1 1
Loa Loa (eye worm) hypothetical protein 0.0529 0.4171 0.4171
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.1246 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0254 0.1932 0.1932
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.008 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0254 0.1932 0.1932
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.007 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.1278 0.1278
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.007 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0371 0.0371
Schistosoma mansoni hypothetical protein 0.008 0.0519 0.0519

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 41 uM Cytotoxicity against human HSC2 by MTT method ChEMBL. 17499885
CC50 (functional) = 83 uM Cytotoxicity against human HSC4 cells by MTT method ChEMBL. 17499885
CC50 (functional) = 158 uM Cytotoxicity against human HL60 cells in presence of RPMI1640 containing 10% fetal bovine serum by trypan blue exclusion test ChEMBL. 17499885

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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