Detailed information for compound 47596

Basic information

Technical information
  • TDR Targets ID: 47596
  • Name: 1,2-bis(2,4-dichlorophenyl)prop-2-en-1-one
  • MW: 346.035 | Formula: C15H8Cl4O
  • H donors: 0 H acceptors: 1 LogP: 6.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)C(=O)C(=C)c1ccc(cc1Cl)Cl
  • InChi: 1S/C15H8Cl4O/c1-8(11-4-2-9(16)6-13(11)18)15(20)12-5-3-10(17)7-14(12)19/h2-7H,1H2
  • InChiKey: LTHSSAXQYWUZSB-UHFFFAOYSA-N  

Network

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Synonyms

  • 1,2-bis(2,4-dichlorophenyl)-2-propen-1-one
  • 104941-05-1
  • 2-Propen-1-one, 1,2-bis(2,4-dichlorophenyl)-
  • AIDS-193645
  • AIDS193645

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
Loa Loa (eye worm) hypothetical protein 0.0174 0.5042 0.5023
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.2742 0.8427
Echinococcus multilocularis nuclear receptor nhr 48 0.0082 0.1852 0.3625
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0174 0.5042 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0174 0.5042 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0174 0.5042 0.5023
Brugia malayi nuclear receptor RXR 0.0082 0.1852 0.2935
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0082 0.1852 0.1821
Loa Loa (eye worm) hypothetical protein 0.0039 0.0357 0.032
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0174 0.5042 0.8098
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0174 0.5042 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0174 0.5042 0.8098
Loa Loa (eye worm) hypothetical protein 0.0092 0.2194 0.2164
Schistosoma mansoni steroid hormone receptor ad4bp 0.0174 0.5042 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0082 0.1852 0.2935
Brugia malayi hypothetical protein 0.0121 0.3223 0.5154
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Echinococcus multilocularis chromobox protein 1 0.0069 0.1418 0.2758
Onchocerca volvulus 0.0174 0.5042 0.6962
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0149 0.4196 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0106 0.2692 0.8238
Echinococcus multilocularis thyroid hormone receptor alpha 0.0174 0.5042 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.2194 0.2164
Loa Loa (eye worm) hypothetical protein 0.0174 0.5042 0.5023
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0174 0.5042 0.5023
Echinococcus granulosus Nuclear hormone receptor HR96 0.0082 0.1852 0.3673
Brugia malayi glutathione reductase 0.0047 0.0642 0.0978
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Loa Loa (eye worm) hypothetical protein 0.0092 0.2194 0.2164
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.2742 0.8427
Brugia malayi hypothetical protein 0.0092 0.2194 0.3488
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0174 0.5042 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.046 0.0553
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.2742 0.8427
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0038 0.0075
Trichomonas vaginalis chromobox protein, putative 0.0069 0.1418 0.1548
Brugia malayi conserved hypotetical protein 0.0082 0.1852 0.2935
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0082 0.1852 0.3625
Loa Loa (eye worm) hypothetical protein 0.0174 0.5042 0.5023
Echinococcus granulosus FTZ F1 alpha 0.0174 0.5042 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0433 0.079
Schistosoma mansoni RAR-like nuclear receptor 0.0174 0.5042 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0082 0.1852 0.2935
Mycobacterium tuberculosis Probable reductase 0.0108 0.2742 0.8427
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Plasmodium vivax glutathione reductase, putative 0.0047 0.0642 0.1453
Brugia malayi nuclear receptor RXR 0.0092 0.2194 0.3488
Loa Loa (eye worm) hypothetical protein 0.0174 0.5042 0.5023
Brugia malayi hypothetical protein 0.0082 0.1852 0.2935
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0174 0.5042 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.2742 0.8427
Schistosoma mansoni coup transcription factor 0.0174 0.5042 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.2194 0.2164
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0149 0.4196 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0082 0.1852 0.3625
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0174 0.5042 0.8098
Onchocerca volvulus 0.0082 0.1852 0.25
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.3159 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0174 0.5042 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0174 0.5042 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Echinococcus multilocularis chromobox protein 1 0.0069 0.1418 0.2758
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0174 0.5042 0.6962
Mycobacterium ulcerans thymidylate synthase 0.0106 0.2692 1
Brugia malayi nuclear hormone receptor 0.0174 0.5042 0.8098
Brugia malayi thymidylate synthase 0.0106 0.2692 0.4295
Schistosoma mansoni hypothetical protein 0.0052 0.0796 0.1515
Echinococcus multilocularis ecdysone induced protein 78C 0.0174 0.5042 1
Brugia malayi tailless protein 0.0082 0.1852 0.2935
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0174 0.5042 0.8098
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0174 0.5042 0.8098
Onchocerca volvulus 0.0082 0.1852 0.25
Loa Loa (eye worm) thymidylate synthase 0.0106 0.2692 0.2664
Brugia malayi ecdysone receptor 0.0082 0.1852 0.2935
Loa Loa (eye worm) hypothetical protein 0.0174 0.5042 0.5023
Schistosoma mansoni retinoic acid receptor RXR 0.0174 0.5042 1
Brugia malayi hypothetical protein 0.0082 0.1852 0.2935
Loa Loa (eye worm) glutathione reductase 0.0047 0.0642 0.0607
Toxoplasma gondii thioredoxin reductase 0.0047 0.0642 0.1453
Echinococcus multilocularis FTZ F1 alpha 0.0174 0.5042 1
Brugia malayi nuclear receptor NHR-67 0.0082 0.1852 0.2935
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0174 0.5042 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0174 0.5042 1
Mycobacterium tuberculosis Hypothetical protein 0.005 0.0758 0.0945
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.1418 0.1386
Schistosoma mansoni thyroid hormone receptor 0.0174 0.5042 1
Schistosoma mansoni nuclear hormone receptor 0.0082 0.1852 0.3625
Schistosoma mansoni nuclear receptor 0.0082 0.1852 0.3625
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0642 0.0607
Brugia malayi Pre-SET motif family protein 0.0207 0.6218 1
Onchocerca volvulus Bile acid receptor homolog 0.0174 0.5042 0.6962
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0174 0.5042 1
Brugia malayi Nuclear hormone receptor E75 0.0082 0.1852 0.2935
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0174 0.5042 0.8098
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0082 0.1852 0.3673
Loa Loa (eye worm) hypothetical protein 0.0174 0.5042 0.5023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0174 0.5042 0.5023
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Loa Loa (eye worm) hypothetical protein 0.0174 0.5042 0.5023
Brugia malayi nuclear receptor NHR-88 0.0174 0.5042 0.8098
Brugia malayi hypothetical protein 0.005 0.0758 0.1165
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0174 0.5042 1
Brugia malayi Heterochromatin protein 1 0.0069 0.1418 0.2234
Brugia malayi orphan nuclear receptor NR2E1 0.0082 0.1852 0.2935
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.3159 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0174 0.5042 0.8098
Trichomonas vaginalis set domain proteins, putative 0.0236 0.7214 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.2742 0.8427
Loa Loa (eye worm) hypothetical protein 0.0092 0.2194 0.2164
Brugia malayi Thioredoxin reductase 0.0047 0.0642 0.0978
Brugia malayi Nuclear hormone receptor E75 0.0082 0.1852 0.2935
Echinococcus granulosus thymidylate synthase 0.0106 0.2692 0.5339
Schistosoma mansoni chromobox protein 0.0069 0.1418 0.2758
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0082 0.1852 0.3673
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0357 0.0409
Brugia malayi Nuclear hormone receptor-like 1 0.0092 0.2194 0.3488
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0082 0.1852 0.3625
Onchocerca volvulus 0.0041 0.0433 0.0516
Brugia malayi Steroid receptor seven-up type 2 0.0174 0.5042 0.8098
Trichomonas vaginalis chromobox protein, putative 0.0042 0.046 0.015
Brugia malayi chromobox protein homolog 3 0.0039 0.0357 0.0516
Echinococcus granulosus dihydrofolate reductase 0.0043 0.0507 0.1006
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0174 0.5042 0.8098
Echinococcus granulosus Nuclear hormone receptor HR96 0.0082 0.1852 0.3673
Schistosoma mansoni zinc finger protein 0.0082 0.1852 0.3625
Schistosoma mansoni nuclear hormone receptor 0.0174 0.5042 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0174 0.5042 1
Chlamydia trachomatis dihydrofolate reductase 0.0043 0.0507 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0092 0.2194 0.4307
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0174 0.5042 1
Loa Loa (eye worm) dihydrofolate reductase 0.0043 0.0507 0.0471
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0082 0.1852 0.3625
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0174 0.5042 1
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0758 0.0585
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0174 0.5042 0.8098
Brugia malayi nuclear receptor NHR-88 0.0082 0.1852 0.2935
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.3159 1
Loa Loa (eye worm) DR-78 0.0082 0.1852 0.1821
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0642 0.1274
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0174 0.5042 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.5042 0.5023
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.2742 0.8427
Loa Loa (eye worm) steroid hormone receptor 0.0174 0.5042 0.5023
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0174 0.5042 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0092 0.2194 0.435
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0174 0.5042 0.8098
Echinococcus granulosus nuclear receptor nhr 48 0.0082 0.1852 0.3673
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0642 0.1453
Schistosoma mansoni dihydrofolate reductase 0.0043 0.0507 0.0938
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Onchocerca volvulus 0.0236 0.7214 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Onchocerca volvulus 0.0106 0.2692 0.3675
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0106 0.2692 0.5304
Brugia malayi Dihydrofolate reductase 0.0043 0.0507 0.076
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.6218 0.6203
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0082 0.1852 0.25
Brugia malayi photoreceptor-specific nuclear receptor 0.0174 0.5042 0.8098
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0082 0.1852 0.25
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0082 0.1852 0.3625
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0174 0.5042 0.5023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0174 0.5042 0.8098
Loa Loa (eye worm) nuclear hormone receptor 0.0082 0.1852 0.1821
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0149 0.4196 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0082 0.1852 0.1821
Schistosoma mansoni nuclear receptor 0.0082 0.1852 0.3625
Schistosoma mansoni chromobox protein 0.0069 0.1418 0.2758
Brugia malayi dihydrofolate reductase family protein 0.0043 0.0507 0.076
Echinococcus multilocularis thymidylate synthase 0.0106 0.2692 0.5304
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0174 0.5042 0.5023
Schistosoma mansoni nuclear receptor nhr-48 0.0082 0.1852 0.3625
Echinococcus granulosus chromobox protein 1 0.0069 0.1418 0.2813
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0092 0.2194 0.4307
Echinococcus granulosus thyroid hormone receptor alpha 0.0082 0.1852 0.3673
Echinococcus multilocularis dihydrofolate reductase 0.0043 0.0507 0.0938
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0174 0.5042 1
Trichomonas vaginalis chromobox protein, putative 0.0069 0.1418 0.1548
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0174 0.5042 0.5023
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0082 0.1852 0.3625
Brugia malayi hypothetical protein 0.0092 0.2194 0.3488
Schistosoma mansoni thyroid hormone receptor 0.0174 0.5042 1
Brugia malayi Nuclear hormone receptor-like 1 0.0174 0.5042 0.8098
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.3159 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0174 0.5042 1
Echinococcus granulosus ecdysone induced protein 78C 0.0174 0.5042 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1852 0.1821
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0642 0.0509
Brugia malayi nuclear hormone receptor 0.0082 0.1852 0.2935
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0174 0.5042 0.5023
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0106 0.2692 0.8238
Brugia malayi steroid hormone receptor 0.0174 0.5042 0.8098
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0092 0.2194 0.4307
Trichomonas vaginalis chromobox protein, putative 0.0042 0.046 0.015
Onchocerca volvulus Protein ultraspiracle homolog 0.0174 0.5042 0.6962
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.005 0.0758 0.0326
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0174 0.5042 0.8098
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0174 0.5042 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0065 0.0027
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0642 0.1208
Brugia malayi ecdysteroid receptor 0.0174 0.5042 0.8098
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0149 0.4196 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0082 0.1852 0.2935
Echinococcus granulosus chromobox protein 1 0.0069 0.1418 0.2813
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0174 0.5042 0.8098
Schistosoma mansoni nuclear hormone receptor 0.0082 0.1852 0.3625
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0082 0.1852 0.3625
Brugia malayi Nuclear hormone receptor-like 1 0.0092 0.2194 0.3488
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0149 0.4196 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0149 0.4196 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0092 0.2194 0.2164

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.4 ug ml-1 Antifungal activity against Trichophyton asteroides was determined in vitro ChEMBL. 3302258
MIC (functional) = 6.3 ug ml-1 Antifungal activity against Candida albicans was determined in vitro ChEMBL. 3302258
MIC (functional) = 6.3 ug ml-1 Antifungal activity against Candida albicans was determined in vitro ChEMBL. 3302258
MIC (functional) > 100 ug ml-1 Antifungal activity against Aspergillus fumigatus was determined in vitro ChEMBL. 3302258

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.

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