Detailed information for compound 645665

Basic information

Technical information
  • TDR Targets ID: 645665
  • Name: 3-(5-bromo-2-methoxyphenyl)-N-(4-fluoro-3-nit rophenyl)prop-2-enamide
  • MW: 395.18 | Formula: C16H12BrFN2O4
  • H donors: 1 H acceptors: 3 LogP: 3.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C=CC(=O)Nc1ccc(c(c1)[N+](=O)[O-])F)Br
  • InChi: 1S/C16H12BrFN2O4/c1-24-15-6-3-11(17)8-10(15)2-7-16(21)19-12-4-5-13(18)14(9-12)20(22)23/h2-9H,1H3,(H,19,21)/b7-2+
  • InChiKey: KKRZDPQPXUXCSH-FARCUNLSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
  • 3-(5-bromo-2-methoxy-phenyl)-N-(4-fluoro-3-nitro-phenyl)prop-2-enamide
  • (E)-3-(5-bromo-2-methoxy-phenyl)-N-(4-fluoro-3-nitro-phenyl)prop-2-enamide
  • 3-(5-bromo-2-methoxy-phenyl)-N-(4-fluoro-3-nitro-phenyl)acrylamide
  • (E)-3-(5-bromo-2-methoxy-phenyl)-N-(4-fluoro-3-nitro-phenyl)acrylamide
  • 6198-21-6
  • DivK1c_004783
  • BIM-0010928.P001
  • CDS1_003743
  • ZINC01209481
  • CBMicro_011167

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 0.0036 0.045 0.0305
Brugia malayi Thioredoxin reductase 0.0101 0.2618 0.2814
Schistosoma mansoni hypothetical protein 0.0297 0.917 0.9155
Brugia malayi TAR-binding protein 0.0131 0.3611 0.3925
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.1142 0.0984
Brugia malayi RNA binding protein 0.0131 0.3611 0.3925
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3611 0.3497
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.062 0.182
Echinococcus multilocularis snurportin 1 0.0297 0.917 1
Plasmodium vivax glutathione reductase, putative 0.0101 0.2618 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0231 0.6938 0.8837
Brugia malayi Muscleblind-like protein 0.0293 0.9038 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0506 0.265
Echinococcus multilocularis thioredoxin glutathione reductase 0.0101 0.2618 0.2716
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0035 0.0415 0.0978
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0035 0.0415 0.0978
Plasmodium falciparum thioredoxin reductase 0.0101 0.2618 1
Plasmodium falciparum thioredoxin reductase 0.0035 0.0415 0.0978
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1007 0.1011
Brugia malayi Importin beta-1 subunit 0.0028 0.0176 0.008
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3611 0.3497
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0231 0.6938 0.8837
Schistosoma mansoni hypothetical protein 0.0074 0.1725 0.1577
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.1142 0.1075
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.1725 0.1723
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.1142 0.0984
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3611 0.3497
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0067 0.1488 0.5683
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.062 1
Plasmodium vivax thioredoxin reductase, putative 0.0101 0.2618 1
Treponema pallidum NADH oxidase 0.0035 0.0415 0.5
Leishmania major trypanothione reductase 0.0101 0.2618 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0256 0.7796 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.1488 0.1459
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0035 0.0415 0.0978
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.062 0.0494
Loa Loa (eye worm) hypothetical protein 0.0293 0.9038 0.9854
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3611 0.3497
Brugia malayi glutathione reductase 0.0101 0.2618 0.2814
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0415 0.1584
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0415 0.1584
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0231 0.6938 0.8837
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.1142 0.1075
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.045 0.0387
Loa Loa (eye worm) RNA binding protein 0.0131 0.3611 0.382
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0067 0.1488 0.1454
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0256 0.7796 1
Plasmodium falciparum glutathione reductase 0.0101 0.2618 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.1488 0.1459
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0067 0.1488 0.1548
Echinococcus multilocularis muscleblind protein 0.0293 0.9038 0.9854
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0415 0.1584
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.1488 1
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0506 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0231 0.6938 0.8837
Entamoeba histolytica hypothetical protein 0.0074 0.1725 0.904
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.1142 0.1075
Entamoeba histolytica hypothetical protein 0.0074 0.1725 0.904
Echinococcus granulosus tar DNA binding protein 0.0131 0.3611 0.382
Brugia malayi jmjC domain containing protein 0.0057 0.1142 0.1162
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0131 0.3611 0.382
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.1337 0.1291
Loa Loa (eye worm) hypothetical protein 0.0053 0.1007 0.0925
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3611 0.3497
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0415 0.1584
Schistosoma mansoni hypothetical protein 0.0036 0.045 0.0279
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0035 0.0415 0.0978
Loa Loa (eye worm) glutathione reductase 0.0101 0.2618 0.2716
Entamoeba histolytica hypothetical protein 0.0074 0.1725 0.904
Toxoplasma gondii NADPH-glutathione reductase 0.0035 0.0415 0.0978
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.014 0.3919 0.381
Loa Loa (eye worm) hypothetical protein 0.0293 0.9038 0.9854
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.062 0.182
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0256 0.7796 1
Echinococcus multilocularis tar DNA binding protein 0.0131 0.3611 0.382
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0415 0.0978
Echinococcus granulosus thioredoxin glutathione reductase 0.0101 0.2618 0.2716
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.1725 0.1723
Entamoeba histolytica hypothetical protein 0.0074 0.1725 0.904
Mycobacterium tuberculosis Probable oxidoreductase 0.0256 0.7796 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0415 0.1584
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1007 0.1011
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.062 0.182
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0415 0.1584
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0067 0.1488 0.1336
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0035 0.0415 0.0978
Echinococcus granulosus muscleblind protein 0.0293 0.9038 0.9854
Trichomonas vaginalis glutathione reductase, putative 0.0035 0.0415 0.6686
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0035 0.0415 0.1584
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0415 0.0978
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0415 0.1584
Loa Loa (eye worm) acetyltransferase 0.014 0.3919 0.4162
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0231 0.6938 0.8837
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0035 0.0415 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.1488 1
Trypanosoma cruzi trypanothione reductase, putative 0.0101 0.2618 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0035 0.0415 0.0266
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0415 0.1584
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0035 0.0415 0.1584
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.1725 0.1577
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0035 0.0415 0.0243
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0035 0.0415 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0035 0.0415 0.0347
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0415 0.1584
Brugia malayi hypothetical protein 0.0074 0.1725 0.1814
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1007 0.0925
Brugia malayi acetyltransferase, GNAT family protein 0.014 0.3919 0.427
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0297 0.917 1
Brugia malayi RNA, U transporter 1 0.0079 0.189 0.1998
Schistosoma mansoni jumonji domain containing protein 0.0057 0.1142 0.0984
Trichomonas vaginalis mercuric reductase, putative 0.0035 0.0415 0.6686
Toxoplasma gondii thioredoxin reductase 0.0101 0.2618 1
Echinococcus granulosus snurportin 1 0.0297 0.917 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0506 0.1351
Trypanosoma brucei trypanothione reductase 0.0101 0.2618 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0035 0.0415 0.0978
Echinococcus multilocularis muscleblind protein 1 0.0293 0.9038 0.9854
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.1142 0.1075
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.014 0.3919 0.4162
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.062 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.008 0.1909 1
Loa Loa (eye worm) TAR-binding protein 0.0131 0.3611 0.382
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0035 0.0415 0.0266
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.3788 0.4016
Brugia malayi RNA recognition motif domain containing protein 0.0131 0.3611 0.3925
Trypanosoma cruzi trypanothione reductase, putative 0.0035 0.0415 0.1584
Loa Loa (eye worm) thioredoxin reductase 0.0101 0.2618 0.2716
Mycobacterium tuberculosis Probable reductase 0.0231 0.6938 0.8837
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.1142 0.1075
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0101 0.2618 0.2985
Brugia malayi jmjC domain containing protein 0.0057 0.1142 0.1162
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.008 0.1909 1
Plasmodium falciparum glutathione reductase 0.0035 0.0415 0.0978
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0415 0.1584
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0035 0.0415 0.5
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0035 0.0415 0.0978
Loa Loa (eye worm) hypothetical protein 0.008 0.1909 0.1927

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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