Detailed information for compound 1579856

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.243 | Formula: C20H14Cl2N2O2
  • H donors: 0 H acceptors: 2 LogP: 4.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(c(c1)COCc1ccncc1)Oc1cc(Cl)ccc1Cl
  • InChi: 1S/C20H14Cl2N2O2/c21-17-2-3-18(22)20(10-17)26-19-4-1-15(11-23)9-16(19)13-25-12-14-5-7-24-8-6-14/h1-10H,12-13H2
  • InChiKey: CTECESZRWJJUTN-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
Onchocerca volvulus Chorion peroxidase homolog 0.0143 0.8095 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0338 0.0223
Onchocerca volvulus 0.0143 0.8095 1
Onchocerca volvulus 0.0143 0.8095 1
Brugia malayi hypothetical protein 0.0143 0.8095 0.8072
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Brugia malayi Animal haem peroxidase family protein 0.0143 0.8095 0.8072
Loa Loa (eye worm) animal heme peroxidase 0.0143 0.8095 0.8072
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.0335 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0166 1 1
Onchocerca volvulus Peroxidase homolog 0.0143 0.8095 1
Onchocerca volvulus 0.0143 0.8095 1
Onchocerca volvulus Peroxidase homolog 0.0143 0.8095 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Schistosoma mansoni jumonji/arid domain-containing protein 0.0067 0.1865 0.1768
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.0335 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0067 0.1865 0.184
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Schistosoma mansoni jumonji/arid domain-containing protein 0.0067 0.1865 0.1768
Echinococcus granulosus peroxidasin 0.0143 0.8095 0.8399
Loa Loa (eye worm) blistered cuticle protein 3 0.0143 0.8095 0.8072
Echinococcus multilocularis lysine specific demethylase 5A 0.0067 0.1865 0.1768
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Brugia malayi Animal haem peroxidase family protein 0.0143 0.8095 0.8072
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0338 0.0223
Brugia malayi jmjC domain containing protein 0.0067 0.1865 0.1768
Brugia malayi Peroxidasin 0.0143 0.8095 0.8072
Schistosoma mansoni peroxidasin 0.0143 0.8095 0.8072
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0166 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.0335 1
Loa Loa (eye worm) animal heme peroxidase 0.0143 0.8095 0.8072
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0067 0.1865 0.1768
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0338 0.0223
Brugia malayi Animal haem peroxidase family protein 0.0143 0.8095 0.8072
Onchocerca volvulus Peroxidasin homolog 0.0143 0.8095 1
Schistosoma mansoni jumonji domain containing protein 0.0067 0.1865 0.1768
Loa Loa (eye worm) animal heme peroxidase 0.0143 0.8095 0.8072
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0338 0.0223
Brugia malayi Blistered cuticle protein 3 0.0143 0.8095 0.8072
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Echinococcus granulosus lysine specific demethylase 5A 0.0067 0.1865 0.184
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.1865 0.1768
Echinococcus multilocularis peroxidasin 0.0143 0.8095 0.8072
Echinococcus granulosus histone acetyltransferase KAT2B 0.0161 0.9616 1
Schistosoma mansoni peroxidasin 0.0143 0.8095 0.8072
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Loa Loa (eye worm) acetyltransferase 0.0166 1 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Loa Loa (eye worm) animal heme peroxidase 0.0143 0.8095 0.8072
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.0335 0.023
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Brugia malayi jmjC domain containing protein 0.0067 0.1865 0.1768
Brugia malayi Animal haem peroxidase family protein 0.0143 0.8095 0.8072
Brugia malayi Animal haem peroxidase family protein 0.0143 0.8095 0.8072
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.0335 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0 0.5
Giardia lamblia High cysteine protein 0.0046 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072
Onchocerca volvulus Peroxidasin homolog 0.0143 0.8095 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.0335 0.5
Onchocerca volvulus Dual oxidase homolog 0.0143 0.8095 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.8095 0.8072

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 1.8 uM Cytotoxicity against human MT2 cells infected with HIV1 3B by MTT assay ChEMBL. 22081993

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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