Detailed information for compound 724456

Basic information

Technical information
  • TDR Targets ID: 724456
  • Name: N-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodio xin-2-yl)propanamide
  • MW: 362.218 | Formula: C17H16BrNO3
  • H donors: 1 H acceptors: 1 LogP: 3.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Br)CCC1COc2c(O1)cccc2
  • InChi: 1S/C17H16BrNO3/c18-12-5-7-13(8-6-12)19-17(20)10-9-14-11-21-15-3-1-2-4-16(15)22-14/h1-8,14H,9-11H2,(H,19,20)
  • InChiKey: BFKXFNAFTKDAHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)propionamide

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 PHD-finger family protein 0.0024 0.0081 0.0059
Loa Loa (eye worm) hypothetical protein 0.002 0.0041 0.0031
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0037 0.0193 0.0077
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0041 0.0031
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0037 0.0193 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0061 0.0067
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0054 0.0336 0.0468
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0117 0.0141
Plasmodium falciparum enoyl-acyl carrier reductase 0.0552 0.4619 1
Brugia malayi Bromodomain containing protein 0.0073 0.0503 0.0676
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0041 0.0038
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0141
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0037 0.0193 0.0222
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0174 0.0232
Echinococcus multilocularis peregrin 0.0031 0.0137 0.0178
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0552 0.4619 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0037 0.0193 0.0252
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0061 0.0067
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0184 0.0248
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0041 0.0038
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0552 0.4619 1
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0054 0.0336 0.0431
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0117 0.0149
Schistosoma mansoni coup transcription factor 0.002 0.0041 0.006
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0552 0.4619 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0041 0.0038
Plasmodium vivax SET domain protein, putative 0.0029 0.0123 0.0006
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0041 0.006
Schistosoma mansoni hypothetical protein 0.002 0.0045 0.0065
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0041 0.006
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0041 0.0038
Schistosoma mansoni hypothetical protein 0.0054 0.0336 0.0489
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0041 0.0038
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0113 0.0144
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0037 0.0193 0.026
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0184 0.0269
Loa Loa (eye worm) hypothetical protein 0.002 0.0041 0.0031
Loa Loa (eye worm) hypothetical protein 0.0069 0.0467 0.0652
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0037 0.0193 0.0281
Schistosoma mansoni zinc finger protein 0.0019 0.0036 0.0052
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0037 0.0193 0.0222
Loa Loa (eye worm) apoptosis regulator protein 0.0054 0.0336 0.0461
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0041 0.0038
Brugia malayi Bromodomain containing protein 0.0037 0.0194 0.0224
Brugia malayi Pre-SET motif family protein 0.0029 0.0123 0.0119
Brugia malayi Bromodomain containing protein 0.0031 0.0137 0.014
Echinococcus granulosus zinc finger protein 0.0019 0.0036 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0041 0.0031
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0552 0.4619 1
Onchocerca volvulus 0.0029 0.0123 0.0119
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0117 0.017
Schistosoma mansoni dual specificity protein phosphatase 0.0813 0.6868 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0194 0.0255
Loa Loa (eye worm) hypothetical protein 0.002 0.0041 0.0031
Loa Loa (eye worm) hypothetical protein 0.002 0.0041 0.0031
Schistosoma mansoni hypothetical protein 0.0054 0.0336 0.0489
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0037 0.0193 0.0169
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0041 0.0031
Brugia malayi PHD-finger family protein 0.0029 0.0117 0.0111
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0037 0.0193 1
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0037 0.0193 0.0169
Loa Loa (eye worm) hypothetical protein 0.0042 0.023 0.0307
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0041 0.0031
Loa Loa (eye worm) oxidoreductase 0.0037 0.0193 0.0252
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0037 0.0193 0.0169
Echinococcus granulosus jumonji domain containing protein 0.004 0.0213 0.0289
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0061 0.0089
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0041 0.0038
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0552 0.4619 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0117 0.0149
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0378 0.0523
Echinococcus granulosus peregrin 0.0031 0.0137 0.0178
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0041 0.0038
Schistosoma mansoni hypothetical protein 0.0054 0.0336 0.0489
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0037 0.0193 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0041 0.0038
Schistosoma mansoni nuclear hormone receptor 0.002 0.0041 0.006
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0037 0.0193 1
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0041 0.0031
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0123 0.0013
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0041 0.006
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0374 0.0524
Schistosoma mansoni thyroid hormone receptor 0.002 0.0041 0.006
Brugia malayi jmjC domain containing protein 0.0036 0.0184 0.021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0266 0.0388
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0123 0.0157
Schistosoma mansoni dihydropteridine reductase 0.0037 0.0193 0.0281
Onchocerca volvulus 0.0037 0.0193 0.0222
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0037 0.0193 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0041 0.006
Loa Loa (eye worm) hypothetical protein 0.002 0.0041 0.0031
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0041 0.0038
Schistosoma mansoni hypothetical protein 0.0029 0.0117 0.017
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0041 0.0038
Schistosoma mansoni apoptosis regulator bax 0.0054 0.0336 0.0489
Loa Loa (eye worm) hypothetical protein 0.002 0.0041 0.0031
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0041 0.0038
Echinococcus granulosus dual specificity protein phosphatase 0.0813 0.6868 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0041 0.006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0041 0.0031
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0041 0.0038
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0037 0.0193 1
Trypanosoma brucei pteridine reductase 1 0.0037 0.0193 1
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0037 0.0193 0.0169
Loa Loa (eye worm) hypothetical protein 0.0037 0.0193 0.0252
Trypanosoma brucei oxidoreductase-like protein 0.0037 0.0193 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0266 0.036
Onchocerca volvulus 0.0037 0.0193 0.0222
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0675 0.0964
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0266 0.0388
Onchocerca volvulus 0.0232 0.1866 0.2673
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0045 0.0036
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0037 0.0193 0.5
Schistosoma mansoni thyroid hormone receptor 0.002 0.0041 0.006
Echinococcus multilocularis dual specificity protein phosphatase 0.0813 0.6868 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0054 0.0336 0.0468
Leishmania major pteridine reductase 1 0.0037 0.0193 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0292 0.0397
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0041 0.0038
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0675 0.0964
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.1624 0.2342
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0041 0.006
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0168 0.0224
Brugia malayi Pre-SET motif family protein 0.0204 0.1624 0.2319
Loa Loa (eye worm) hypothetical protein 0.004 0.0214 0.0284
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0037 0.0193 0.026
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0041 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0041 0.0031
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0552 0.4619 0.4555
Schistosoma mansoni bromodomain containing protein 0.0062 0.0404 0.0588
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0015 0.0022
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0552 0.4619 1
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0213 0.0289
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0041 0.0038
Echinococcus granulosus FTZ F1 alpha 0.002 0.0041 0.0038
Schistosoma mansoni jumonji domain containing protein 0.0074 0.051 0.0743
Onchocerca volvulus Alhambra homolog 0.0029 0.0117 0.0111
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0041 0.006
Loa Loa (eye worm) hypothetical protein 0.002 0.0041 0.0031
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0676 0.5687 0.8277
Loa Loa (eye worm) dual specificity phosphatase 0.0813 0.6868 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0037 0.0193 0.0252
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0015 0.0022
Brugia malayi Dual specificity phosphatase, catalytic domain containing protein 0.0813 0.6868 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0041 0.0031
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0041 0.006
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0041 0.006
Loa Loa (eye worm) hypothetical protein 0.002 0.0041 0.0031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0123 0.0178
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0676 0.5687 0.8277
Trichomonas vaginalis hypothetical protein 0.0552 0.4619 1
Echinococcus multilocularis zinc finger protein 0.0019 0.0036 0.0031
Loa Loa (eye worm) hypothetical protein 0.0054 0.0336 0.0461
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0266 0.0367
Onchocerca volvulus 0.0813 0.6868 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0184 0.0269
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0123 0.0178
Leishmania major oxidoreductase-like protein 0.0037 0.0193 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0037 0.0193 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0041 0.0038
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0374 0.0524
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0184 0.024
Giardia lamblia Dual specificity phosphatase, catalytic 0.0813 0.6868 1
Brugia malayi jmjC domain containing protein 0.0093 0.0675 0.0929
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0054 0.0336 0.0489
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0174 0.0232
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0266 0.0367

Activities

No activities found for this compound.

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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