Detailed information for compound 1734666

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 453.317 | Formula: C24H18Cl2N2O3
  • H donors: 2 H acceptors: 2 LogP: 5.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc2c(c1)c(=O)cc(o2)c1ccc(cc1Cl)NC(=O)Nc1cccc(c1)Cl
  • InChi: 1S/C24H18Cl2N2O3/c1-2-14-6-9-22-19(10-14)21(29)13-23(31-22)18-8-7-17(12-20(18)26)28-24(30)27-16-5-3-4-15(25)11-16/h3-13H,2H2,1H3,(H2,27,28,30)
  • InChiKey: NUKRCMZBFRVHCN-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 Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.0253 1
Onchocerca volvulus 0.0008 0 0.5
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0002 0.0084
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0031 0.1219
Onchocerca volvulus 0.0008 0 0.5
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0002 0.0084
Onchocerca volvulus Neuropeptide F receptor homolog 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0031 0.0031
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0233 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0008 0 0.5
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0008 0.0002 0.0084
Onchocerca volvulus 0.0008 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.0002 0.0075
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0008 0.0002 0.0084
Onchocerca volvulus 0.0008 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0031 0.1095
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0002 0.0075
Onchocerca volvulus 0.0008 0 0.5
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0008 0.0002 0.0084
Onchocerca volvulus 0.0008 0 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.0253 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0002 0.0002
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0031 0.1219
Onchocerca volvulus 0.0008 0 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0002 0.0075
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0282 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0031 0.1219
Onchocerca volvulus 0.0008 0 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0002 0.0075
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0233 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0002 0.0075
Onchocerca volvulus 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1329 1 1
Onchocerca volvulus 0.0008 0 0.5
Onchocerca volvulus 0.0008 0 0.5
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0002 0.0084
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0002 0.0002
Onchocerca volvulus 0.0008 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0031 0.1095
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0002 0.0084
Onchocerca volvulus 0.0008 0 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0008 0.0002 0.0084
Onchocerca volvulus 0.0008 0 0.5
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0002 0.0084
Onchocerca volvulus 0.0008 0 0.5
Toxoplasma gondii hypothetical protein 0.1329 1 0.5
Onchocerca volvulus 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1329 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0282 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.1329 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.0253 0.0253
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0002 0.0084
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0031 0.1219
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.0253 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0212 0.0212
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0002 0.0075
Onchocerca volvulus 0.0008 0 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0008 0.0002 0.0084
Loa Loa (eye worm) hypothetical protein 0.0008 0.0002 0.0002
Brugia malayi Cyclic-nucleotide gated cation channel 0.0008 0.0002 0.0084
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0031 0.1219

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 27.9 uM Antiproliferative activity against human HCT116 cells assessed as growth inhibition measured after 48 hrs by MTT assay ChEMBL. 23260578

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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