Detailed information for compound 1797697

Basic information

Technical information
  • TDR Targets ID: 1797697
  • Name: 3-phenyl-1-[4-(3-phenylprop-2-enoyl)phenyl]pr op-2-en-1-one
  • MW: 338.399 | Formula: C24H18O2
  • H donors: 0 H acceptors: 2 LogP: 5.46 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)C(=O)/C=C/c1ccccc1)/C=C/c1ccccc1
  • InChi: 1S/C24H18O2/c25-23(17-11-19-7-3-1-4-8-19)21-13-15-22(16-14-21)24(26)18-12-20-9-5-2-6-10-20/h1-18H/b17-11+,18-12+
  • InChiKey: YDJKHVQLADEYIK-JYFOCSDGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
  • 1-[4-(1-oxo-3-phenylprop-2-enyl)phenyl]-3-phenylprop-2-en-1-one
  • (E)-1-[4-[(E)-1-oxo-3-phenylprop-2-enyl]phenyl]-3-phenylprop-2-en-1-one
  • 3-phenyl-1-[4-(3-phenylacryloyl)phenyl]prop-2-en-1-one
  • (E)-3-phenyl-1-[4-[(E)-3-phenylacryloyl]phenyl]prop-2-en-1-one
  • BAS 00009646
  • CBDivE_005696
  • ZINC04011896
  • 1,4-Dicinnamoylbenzene
  • STK326393
  • 3-Phenyl-1-[4-(3-phenyl-acryloyl)-phenyl]-propenone

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 conserved hypothetical protein 0.0348 0.2744 0.5309
Onchocerca volvulus 0.0109 0.0553 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0098 0.0456 0.0013
Giardia lamblia Kinase, CMGC GSK 0.0109 0.0553 0.5
Brugia malayi intracellular kinase 0.0109 0.0553 0.0553
Entamoeba histolytica protein kinase domain containing protein 0.0109 0.0553 0.5
Plasmodium falciparum glycogen synthase kinase 3 0.0109 0.0553 0.5
Trypanosoma cruzi trans-sialidase, putative 0.0098 0.0456 0.0013
Trypanosoma cruzi trans-sialidase, putative 0.0098 0.0456 0.0013
Trypanosoma cruzi trans-sialidase, putative 0.0098 0.0456 0.0013
Plasmodium vivax glycogen synthase kinase 3, putative 0.0109 0.0553 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0098 0.0456 0.0013
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0098 0.0456 0.0013
Echinococcus multilocularis geminin 0.0164 0.1057 0.0534
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0109 0.0553 0.0553
Trichomonas vaginalis Sialidase-1 precursor, putative 0.056 0.468 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0098 0.0456 0.0013
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0109 0.0553 0.0553
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0098 0.0456 0.0013
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0109 0.0553 0.5
Echinococcus granulosus geminin 0.0164 0.1057 0.0534
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0098 0.0456 0.0013
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.1141 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0098 0.0456 0.0013
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0109 0.0553 0.5
Trypanosoma brucei protein kinase, putative 0.0109 0.0553 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0098 0.0456 0.0013
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0109 0.0553 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0098 0.0456 0.0013
Loa Loa (eye worm) protein-tyrosine phosphatase 0.1141 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0098 0.0456 0.0013
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.1141 1 1
Trichomonas vaginalis conserved hypothetical protein 0.056 0.468 1
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.1141 1 1
Schistosoma mansoni hypothetical protein 0.0164 0.1057 0.0534
Entamoeba histolytica protein kinase, putative 0.0109 0.0553 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.1057 0.0534
Entamoeba histolytica protein kinase domain containing protein 0.0109 0.0553 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0098 0.0456 0.0013
Giardia lamblia Kinase, CMGC GSK 0.0109 0.0553 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 13 % Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux at 5 uM after 30 mins by flow cytometry relative to control ChEMBL. 24611893
IZ (functional) = 13 mm Antibacterial activity against Escherichia coli ATCC 35218 at 400 ug/ml after 24 hr by cup-plate agar method ChEMBL. No reference
IZ (functional) = 17 mm Antifungal activity against Candida albicans ATCC 10231 at 400 ug/ml after 24 hr by cup-plate agar method ChEMBL. No reference
MIC (functional) = 200 ug ml-1 Antifungal activity against Candida albicans ATCC 10231 after 24 hr by disk diffusion method ChEMBL. No reference
MIC (functional) = 200 ug ml-1 Antibacterial activity against Escherichia coli ATCC 35218 after 24 hr by disk diffusion method 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

1 literature reference was collected for this gene.

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