Detailed information for compound 785001

Basic information

Technical information
  • TDR Targets ID: 785001
  • Name: 1-(2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-flu orophenyl)prop-2-en-1-one
  • MW: 284.282 | Formula: C17H13FO3
  • H donors: 0 H acceptors: 1 LogP: 3.51 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C=CC(=O)c1ccc2c(c1)OCCO2
  • InChi: 1S/C17H13FO3/c18-14-5-1-12(2-6-14)3-7-15(19)13-4-8-16-17(11-13)21-10-9-20-16/h1-8,11H,9-10H2/b7-3+
  • InChiKey: IAXCNIQXUZSRMN-XVNBXDOJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-1-(2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-fluorophenyl)prop-2-en-1-one
  • ZINC04416171
  • 1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4-fluoro-phenyl)-propenone
  • BAS 00643045
  • A0936/0043817
  • (2E)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-2-propen-1-one
  • Propenone, 1-(benzo[b]-1,4-dioxane-6-yl)-3-(4-fluorophenyl)-

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
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0031 0.002 0.0696
Trypanosoma cruzi trypanothione reductase, putative 0.009 0.016 1
Brugia malayi hypothetical protein 0.0073 0.012 0.1097
Brugia malayi beta-lactamase family protein 0.0041 0.0043 0.0389
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0043 0.1618
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0067 0.0047
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.0131 0.0112
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.2058 0.4869 1
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0043 0.0047
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0043 0.0023
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0228 0.0491 0.0972
Loa Loa (eye worm) thioredoxin reductase 0.009 0.016 0.1164
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.0131 0.0112
Entamoeba histolytica hypothetical protein 0.0073 0.012 0.5
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0043 0.0047
Giardia lamblia NADH oxidase lateral transfer candidate 0.0031 0.002 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0067 0.0098
Schistosoma mansoni hypothetical protein 0.0098 0.018 0.016
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.012 0.0101
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.0131 0.0112
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0223 0.1753
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0043 0.0049
Toxoplasma gondii NADPH-glutathione reductase 0.0031 0.002 0.0696
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0228 0.0491 0.099
Trypanosoma brucei trypanothione reductase 0.009 0.016 1
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0043 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0091 0.0162 0.0142
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0043 0.0047
Plasmodium falciparum thioredoxin reductase 0.0031 0.002 0.0696
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0043 0.1618
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.008 0.0731
Loa Loa (eye worm) hypothetical protein 0.0041 0.0043 0.0049
Treponema pallidum NADH oxidase 0.0031 0.002 0.0864
Entamoeba histolytica hypothetical protein 0.0073 0.012 0.5
Trichomonas vaginalis esterase, putative 0.0041 0.0043 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0131 1
Schistosoma mansoni hypothetical protein 0.0073 0.012 0.0101
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0043 0.0047
Loa Loa (eye worm) hypothetical protein 0.0041 0.0043 0.0049
Onchocerca volvulus 0.0151 0.0306 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.026 0.0567 0.1129
Mycobacterium ulcerans hypothetical protein 0.0041 0.0043 0.0047
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0043 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0098 0.018 0.1641
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0131 0.8062
Echinococcus granulosus survival motor neuron protein 1 0.048 0.1095 0.1077
Mycobacterium tuberculosis Conserved protein 0.0041 0.0043 0.0047
Mycobacterium tuberculosis Conserved protein 0.0041 0.0043 0.0047
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0067 0.0119
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0067 0.0047
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0043 1
Mycobacterium ulcerans beta-lactamase 0.0041 0.0043 0.0047
Plasmodium falciparum glutathione reductase 0.009 0.016 1
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0043 0.0068
Echinococcus multilocularis survival motor neuron protein 1 0.048 0.1095 0.1077
Loa Loa (eye worm) beta-lactamase 0.0041 0.0043 0.0049
Mycobacterium tuberculosis Conserved protein 0.0041 0.0043 0.0047
Loa Loa (eye worm) hypothetical protein 0.048 0.1095 1
Schistosoma mansoni hypothetical protein 0.0039 0.0037 0.0018
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0043 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.008 0.0731
Schistosoma mansoni cellular tumor antigen P53 0.0151 0.0306 0.0287
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0131 0.0229
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0043 0.0047
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0043 0.0023
Brugia malayi Thioredoxin reductase 0.009 0.016 0.1466
Loa Loa (eye worm) hypothetical protein 0.0041 0.0043 0.0049
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0031 0.002 0.0696
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.008 0.0403
Leishmania major trypanothione reductase 0.009 0.016 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0205 0.0436 0.0859
Brugia malayi beta-lactamase 0.0041 0.0043 0.0389
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0228 0.0491 0.0972
Loa Loa (eye worm) hypothetical protein 0.0151 0.0306 0.2544
Brugia malayi hypothetical protein 0.048 0.1095 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0031 0.002 0.0696
Leishmania major hypothetical protein, conserved 0.0041 0.0043 0.1618
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0205 0.0436 0.0877
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0131 1
Brugia malayi beta-lactamase family protein 0.0041 0.0043 0.0389
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0043 0.0023
Toxoplasma gondii ABC1 family protein 0.0041 0.0043 0.2202
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.0131 0.8062
Mycobacterium ulcerans transcriptional regulator 0.2062 0.4879 1
Echinococcus multilocularis microtubule associated protein 2 0.4202 1 1
Echinococcus multilocularis tumor protein p63 0.1031 0.2413 0.2398
Mycobacterium tuberculosis Probable oxidoreductase 0.0228 0.0491 0.0972
Echinococcus granulosus tumor protein p63 0.1031 0.2413 0.2398
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0043 0.0023
Mycobacterium leprae Probable lipase LipE 0.0041 0.0043 0.0068
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0031 0.002 0.0696
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0131 0.8062
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0043 0.0047
Mycobacterium ulcerans lipase LipD 0.0041 0.0043 0.0047
Mycobacterium ulcerans TetR family transcriptional regulator 0.2062 0.4879 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.009 0.016 0.029
Echinococcus granulosus thioredoxin glutathione reductase 0.0091 0.0162 0.0142
Plasmodium falciparum thioredoxin reductase 0.009 0.016 1
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0043 0.0047
Mycobacterium tuberculosis Probable dehydrogenase 0.0205 0.0436 0.0859
Schistosoma mansoni survival motor neuron protein 0.0098 0.018 0.016
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.2062 0.4879 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0043 0.0047
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0223 0.1753
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0131 0.0229
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0067 0.0098
Brugia malayi MH2 domain containing protein 0.0116 0.0223 0.2034
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0043 1
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0043 0.2202
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.012 0.0101
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0043 0.1618
Plasmodium vivax glutathione reductase, putative 0.009 0.016 1
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0037 0.0341
Loa Loa (eye worm) hypothetical protein 0.0041 0.0043 0.0049
Loa Loa (eye worm) hypothetical protein 0.0056 0.008 0.0403
Entamoeba histolytica hypothetical protein 0.0073 0.012 0.5
Onchocerca volvulus 0.0098 0.018 0.5198
Loa Loa (eye worm) hypothetical protein 0.0041 0.0043 0.0049
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0043 0.0047
Plasmodium falciparum glutathione reductase 0.0031 0.002 0.0696
Mycobacterium ulcerans AcrR family transcriptional regulator 0.2062 0.4879 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0043 0.0049
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0031 0.002 0.0696
Loa Loa (eye worm) hypothetical protein 0.0078 0.0131 0.0887
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0131 0.8062
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.0131 0.025
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.0131 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0043 0.0389
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0205 0.0436 0.0859
Brugia malayi glutathione reductase 0.009 0.016 0.1466
Mycobacterium tuberculosis Probable reductase 0.0205 0.0436 0.0859
Loa Loa (eye worm) glutathione reductase 0.009 0.016 0.1164
Entamoeba histolytica hypothetical protein 0.0073 0.012 0.5
Brugia malayi Probable ClpP-like protease 0.0078 0.0131 0.1198
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0205 0.0436 0.0859
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0205 0.0436 0.0859
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0031 0.002 0.0181
Toxoplasma gondii thioredoxin reductase 0.009 0.016 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.012 0.0101
Plasmodium vivax thioredoxin reductase, putative 0.009 0.016 1
Schistosoma mansoni microtubule-associated protein tau 0.4202 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0131 1

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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