Detailed information for compound 979809

Basic information

Technical information
  • TDR Targets ID: 979809
  • Name: 1,5-bis(2-chlorophenyl)penta-1,4-dien-3-one
  • MW: 303.183 | Formula: C17H12Cl2O
  • H donors: 0 H acceptors: 1 LogP: 5.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(/C=C/c1ccccc1Cl)/C=C/c1ccccc1Cl
  • InChi: 1S/C17H12Cl2O/c18-16-7-3-1-5-13(16)9-11-15(20)12-10-14-6-2-4-8-17(14)19/h1-12H/b11-9+,12-10+
  • InChiKey: OZBIBYIDJNVAOQ-WGDLNXRISA-N  

Network

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Synonyms

  • (4E)-1,5-bis(2-chlorophenyl)penta-1,4-dien-3-one
  • (1E,4E)-1,5-bis(2-chlorophenyl)penta-1,4-dien-3-one
  • 5332-98-9
  • 1,5-BIS(O-CHLOROPHENYL)-1,4-PENTADIEN-3-ONE
  • NSC584
  • ZINC01596353
  • Di-(2-o-chlorophenyl-ethylene)-ketone

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
Echinococcus multilocularis small conductance calcium activated potassium 0.0304325 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0304325 1 1
Echinococcus granulosus small conductance calcium activated potassium 0.0304325 1 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0304325 1 1
Schistosoma mansoni hypothetical protein 0.0304325 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.26 uM Antiplasmodial activity against blood stage of chloroquine-sensitive Plasmodium falciparum 3D7 infected in human O positive erythrocytes after 48 hrs by SYBR green-I based fluorescence assay ChEMBL. 21493068
IC50 (functional) = 6.26 uM Antiplasmodial activity against blood stage of chloroquine-resistant Plasmodium falciparum isolate RKL9 infected in human O positive erythrocytes after 48 hrs by SYBR green I-based fluorescence assay ChEMBL. 21493068
IC50 (functional) = 8.6 umol/L Cytotoxicity against human KB cells after 72 hrs by MTT assay ChEMBL. 19243951
IC50 (functional) = 59 umol/L Cytotoxicity against human HL60 cells after 72 hrs by MTT assay ChEMBL. 19243951
Ratio IC50 (functional) = 1 Resistance index, ratio for IC50 for chloroquine-resistant Plasmodium falciparum isolate RKL9 to IC50 for chloroquine-sensitive Plasmodium falciparum 3D7 ChEMBL. 21493068
TC50 (ADMET) = 230.8 uM Cytotoxic activity against human HeLa cells after 24 to 48 hrs by MTT assay ChEMBL. 21493068

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19243951
Plasmodium falciparum ChEMBL23 21493068

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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