Detailed information for compound 1815730

Basic information

Technical information
  • TDR Targets ID: 1815730
  • Name: 3-(2,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl )prop-2-en-1-one
  • MW: 337.197 | Formula: C17H14Cl2O3
  • H donors: 0 H acceptors: 1 LogP: 4.89 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=O)/C=C/c1ccc(cc1Cl)Cl
  • InChi: 1S/C17H14Cl2O3/c1-21-16-8-5-12(9-17(16)22-2)15(20)7-4-11-3-6-13(18)10-14(11)19/h3-10H,1-2H3/b7-4+
  • InChiKey: ROEWVZKDIRTGTM-QPJJXVBHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-(2,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
  • ZINC04714247
  • 3-(2,4-Dichloro-phenyl)-1-(3,4-dimethoxy-phenyl)-propenone
  • BAS 00499562
  • ST002042

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 0.003 0.0213 0.0604
Brugia malayi Muscleblind-like protein 0.0168 0.202 0.523
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.0114 0.0106
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.0114 0.0106
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0165 0.4
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0114 0.0295
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0349 0.0873
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.0114 0.0106
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.0114 0.0106
Loa Loa (eye worm) hypothetical protein 0.003 0.0206 0.0535
Schistosoma mansoni alpha glucosidase 0.0041 0.0349 0.0238
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0392 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.0114 0.0106
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0349 0.1046
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0114 0.026
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0259 0.3215 0.3137
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.0114 0.0106
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0165 0.0234
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.0444 1
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0233 0.2879 0.2874
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0114 0.026
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0165 0.0234
Loa Loa (eye worm) hypothetical protein 0.002 0.0077 0.0199
Loa Loa (eye worm) glutaminase 0.0308 0.385 1
Schistosoma mansoni lamin 0.003 0.0213 0.0101
Echinococcus multilocularis musashi 0.003 0.0213 0.0206
Loa Loa (eye worm) hypothetical protein 0.0015 0.0007 0.0019
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0259 0.3215 1
Onchocerca volvulus 0.0023 0.0114 0.0302
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.0444 0.1122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0114 0.0295
Brugia malayi intermediate filament protein 0.003 0.0213 0.052
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0114 0.0106
Onchocerca volvulus 0.0034 0.0256 0.0733
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.222 0.5751
Onchocerca volvulus Bile acid receptor homolog 0.0023 0.0114 0.0302
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0077 0.5
Onchocerca volvulus 0.0106 0.1206 0.3615
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.0444 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0349 0.0873
Loa Loa (eye worm) hypothetical protein 0.0168 0.202 0.5247
Brugia malayi nuclear hormone receptor 0.0023 0.0114 0.026
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0349 0.4934
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.0114 0.0106
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0114 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0114 0.026
Onchocerca volvulus 0.003 0.0213 0.0604
Echinococcus multilocularis lamin dm0 0.003 0.0213 0.0206
Loa Loa (eye worm) hypothetical protein 0.0034 0.0256 0.0664
Loa Loa (eye worm) hypothetical protein 0.002 0.0077 0.0199
Loa Loa (eye worm) hypothetical protein 0.0023 0.0114 0.0295
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0165 0.0234
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0165 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0114 0.026
Schistosoma mansoni lamin 0.003 0.0213 0.0101
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0259 0.3215 1
Onchocerca volvulus 0.0027 0.0165 0.0459
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0165 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0023 0.0114 0.0302
Echinococcus multilocularis muscleblind protein 1 0.0168 0.202 0.2014
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0165 0.5
Brugia malayi ecdysteroid receptor 0.0023 0.0114 0.026
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0349 0.0873
Brugia malayi Pre-SET motif family protein 0.0234 0.2887 0.749
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0114 0.026
Loa Loa (eye worm) hypothetical protein 0.0023 0.0114 0.0295
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.0444 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0256 0.0249
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0256 0.0144
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0165 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0114 0.0295
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0259 0.3215 0.8345
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0165 0.4
Loa Loa (eye worm) hypothetical protein 0.0023 0.0114 0.0295
Echinococcus granulosus lamin 0.003 0.0213 0.0206
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0163 0.1954 0.1862
Brugia malayi nuclear receptor NHR-88 0.0023 0.0114 0.026
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.222 0.2214
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0165 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0165 0.5
Echinococcus multilocularis lamin 0.003 0.0213 0.0206
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0234 0.2887 0.7499
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0213 0.052
Echinococcus granulosus lysosomal protective protein 0.0259 0.3215 0.321
Echinococcus granulosus intermediate filament protein 0.003 0.0213 0.0206
Echinococcus multilocularis lysosomal protective protein 0.0259 0.3215 0.321
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0256 0.0144
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0256 0.0249
Loa Loa (eye worm) hypothetical protein 0.002 0.0077 0.0199
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0114 0.0106
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0349 0.1046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0114 0.0295
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.0114 0.0106
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0165 0.0472
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0114 0.0295
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0349 0.0873
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0392 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0114 0.026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0114 0.0295
Loa Loa (eye worm) hypothetical protein 0.0023 0.0114 0.0295
Brugia malayi Pre-SET motif family protein 0.0034 0.0256 0.063
Echinococcus granulosus histone acetyltransferase KAT2B 0.0158 0.1894 0.1888
Trichomonas vaginalis glutaminase, putative 0.0308 0.385 1
Echinococcus multilocularis muscleblind protein 0.0168 0.202 0.2014
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0349 0.0873
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0213 0.0554
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0114 0.0295
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0256 0.0249
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.222 0.2214
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0114 0.026
Echinococcus granulosus FTZ F1 alpha 0.0023 0.0114 0.0106
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0349 0.0906
Loa Loa (eye worm) acetyltransferase 0.0163 0.1954 0.5077
Loa Loa (eye worm) hypothetical protein 0.0168 0.202 0.5247
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0259 0.3215 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0256 0.0144
Loa Loa (eye worm) glutaminase 2 0.0308 0.385 1
Mycobacterium ulcerans glutaminase 0.0308 0.385 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0349 0.886
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0114 0.026
Echinococcus multilocularis microtubule associated protein 2 0.0776 1 1
Brugia malayi glutaminase DH11.1 0.0308 0.385 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0114 0.026
Loa Loa (eye worm) hypothetical protein 0.0027 0.0165 0.0429
Trichomonas vaginalis set domain proteins, putative 0.0266 0.3311 0.8596
Loa Loa (eye worm) intermediate filament protein 0.003 0.0213 0.0554
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0026 0.0151 0.0038
Loa Loa (eye worm) hypothetical protein 0.0027 0.0165 0.0429
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0259 0.3215 0.3137
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0114 0.026
Loa Loa (eye worm) hypothetical protein 0.0023 0.0114 0.0295
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0259 0.3215 1
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.0114 0.0106
Brugia malayi steroid hormone receptor 0.0023 0.0114 0.026
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.0444 0.1122
Loa Loa (eye worm) hypothetical protein 0.002 0.0077 0.0199
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0028 0.0074
Echinococcus granulosus lamin dm0 0.003 0.0213 0.0206
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0077 0.139
Loa Loa (eye worm) hypothetical protein 0.0023 0.0114 0.0295
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0165 0.0394
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0114 0.026
Loa Loa (eye worm) hypothetical protein 0.0027 0.0165 0.0429
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0259 0.3215 0.9707
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.0114 0.0106
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.024 0.0232
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0165 0.0394
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.0444 0.0437
Plasmodium vivax SET domain protein, putative 0.0034 0.0256 0.4873
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0233 0.2879 0.2874
Onchocerca volvulus 0.0266 0.3311 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0014 0.0036
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0.0114 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0114 0.026
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0259 0.3215 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0349 0.886
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0259 0.3215 1
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0114 0.026
Schistosoma mansoni alpha-glucosidase 0.0158 0.1885 0.1792
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0114 0.026
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0349 0.0873
Schistosoma mansoni alpha-glucosidase 0.0158 0.1885 0.1792
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0259 0.3215 1
Schistosoma mansoni microtubule-associated protein tau 0.0776 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0114 0.026
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0349 0.0873
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0259 0.3215 1
Loa Loa (eye worm) hypothetical protein 0.0259 0.3215 0.8351
Onchocerca volvulus Protein ultraspiracle homolog 0.0023 0.0114 0.0302
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0163 0.1954 0.1948
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0349 0.0873
Echinococcus granulosus muscleblind protein 0.0168 0.202 0.2014
Schistosoma mansoni glutaminase 0.0308 0.385 0.3779
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0165 0.4
Loa Loa (eye worm) hypothetical protein 0.0023 0.0114 0.0295
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.0114 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0114 0.0295
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0114 0.026
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0349 0.0342
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0165 0.0472
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0392 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0349 0.0873
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0349 0.0873
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0114 0.0106
Mycobacterium ulcerans hypothetical protein 0.0027 0.0165 0.0234
Trypanosoma brucei glucosidase, putative 0.0041 0.0349 0.1046
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0349 0.0342
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0165 0.0394
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0028 0.0038
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0165 0.0234
Loa Loa (eye worm) hypothetical protein 0.003 0.0213 0.0554
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.222 0.5766
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0165 0.0234
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0256 0.0144
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0165 0.0472
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.222 0.2214
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0.0114 0.0106
Brugia malayi acetyltransferase, GNAT family protein 0.0163 0.1954 0.5059
Loa Loa (eye worm) hypothetical protein 0.0023 0.0114 0.0295
Loa Loa (eye worm) hypothetical protein 0.002 0.0077 0.0199
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0349 0.1046
Schistosoma mansoni intermediate filament proteins 0.003 0.0213 0.0101

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 18.69 uM Cytotoxicity against Homo sapiens (human) HT-29 cells after 72 hr by MTT assay ChEMBL. No reference
IC50 (functional) = 60.5 uM Cytotoxicity against Homo sapiens (human) SGC7901 cells after 72 hr by MTT assay ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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