Detailed information for compound 657487

Basic information

Technical information
  • TDR Targets ID: 657487
  • Name: methyl 5-[(2-bromophenyl)methoxy]-2-methyl-1- benzofuran-3-carboxylate
  • MW: 375.213 | Formula: C18H15BrO4
  • H donors: 0 H acceptors: 1 LogP: 4.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(C)oc2c1cc(OCc1ccccc1Br)cc2
  • InChi: 1S/C18H15BrO4/c1-11-17(18(20)21-2)14-9-13(7-8-16(14)23-11)22-10-12-5-3-4-6-15(12)19/h3-9H,10H2,1-2H3
  • InChiKey: PGBWNVWYCUSRBB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 5-[(2-bromophenyl)methoxy]-2-methyl-benzofuran-3-carboxylate
  • 5-[(2-bromophenyl)methoxy]-2-methyl-3-benzofurancarboxylic acid methyl ester
  • 5-(2-bromobenzyl)oxy-2-methyl-benzofuran-3-carboxylic acid methyl ester
  • 6240-35-3
  • BIM-0003313.P001
  • CBMicro_003204
  • ST5038603
  • Oprea1_046207
  • ZINC00623712

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
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.0551 0.0551
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0115 0.0132
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0085 0.1548
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.026 0.026
Mycobacterium ulcerans hypothetical protein 0.0074 0.0115 0.0132
Loa Loa (eye worm) hypothetical protein 0.0231 0.0551 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0115 0.2083
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0115 0.0132
Mycobacterium tuberculosis Probable reductase 0.0313 0.0776 0.1303
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0085 0.1548
Trypanosoma cruzi trypanothione reductase, putative 0.0137 0.0289 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0085 0.0085
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0155 0.0339 0.0528
Schistosoma mansoni cellular tumor antigen P53 0.0156 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.0155 0.0339 0.6157
Entamoeba histolytica hypothetical protein 0.0035 0.0006 0.5
Echinococcus granulosus tumor protein p63 0.1066 0.2867 0.2867
Loa Loa (eye worm) hypothetical protein 0.0074 0.0115 0.2083
Mycobacterium ulcerans AcrR family transcriptional regulator 0.2087 0.57 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0137 0.0288 0.0288
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.2087 0.57 1
Brugia malayi TAR-binding protein 0.0064 0.0085 0.1548
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0102 0.0191 0.0237
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0085 0.0085
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0085 0.0085
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0115 0.2493
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0475 0.1227 0.21
Plasmodium vivax glutathione reductase, putative 0.0137 0.0289 0.8319
Echinococcus multilocularis microtubule associated protein 2 0.3637 1 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0035 0.0005 0.0095
Schistosoma mansoni survival motor neuron protein 0.0047 0.0039 0.0039
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0048 0.004 0.004
Plasmodium falciparum glutathione reductase 0.0137 0.0289 0.8319
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0115 1
Loa Loa (eye worm) RNA binding protein 0.0064 0.0085 0.1548
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0115 0.0115
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0085 0.0085
Brugia malayi hypothetical protein 0.0231 0.0551 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0155 0.0339 0.0339
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0115 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0115 0.2083
Plasmodium vivax thioredoxin reductase, putative 0.0137 0.0289 0.8319
Onchocerca volvulus 0.0074 0.0115 0.2493
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0039 0.0715
Trypanosoma brucei trypanothione reductase 0.0137 0.0289 1
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0115 0.2996
Echinococcus multilocularis tumor protein p63 0.1066 0.2867 0.2867
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0313 0.0776 0.1303
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0115 0.0132
Echinococcus granulosus thioredoxin glutathione reductase 0.0138 0.029 0.029
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0053 0.0057 0.0554
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0155 0.0339 0.0339
Brugia malayi hypothetical protein 0.0035 0.0006 0.0111
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0155 0.0339 0.0339
Mycobacterium tuberculosis Conserved protein 0.0074 0.0115 0.0132
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0048 0.004 0.004
Mycobacterium tuberculosis Probable dehydrogenase 0.0313 0.0776 0.1303
Brugia malayi beta-lactamase 0.0074 0.0115 0.2083
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0085 0.0085
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0053 0.0057 0.0554
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0155 0.0339 1
Schistosoma mansoni hypothetical protein 0.0127 0.026 0.026
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0115 0.0103
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0313 0.0776 0.1303
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0006 0.0006
Toxoplasma gondii ABC1 family protein 0.0074 0.0115 0.2493
Leishmania major hypothetical protein, conserved 0.0074 0.0115 0.2996
Brugia malayi RNA binding protein 0.0064 0.0085 0.1548
Giardia lamblia NADH oxidase lateral transfer candidate 0.0048 0.004 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0262 0.4763
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0313 0.0776 0.1303
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.026 0.026
Schistosoma mansoni hypothetical protein 0.0047 0.0039 0.0039
Onchocerca volvulus 0.0074 0.0115 0.2493
Loa Loa (eye worm) hypothetical protein 0.0156 0.0341 0.6201
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.0198 0.3594
Loa Loa (eye worm) hypothetical protein 0.0104 0.0198 0.3594
Onchocerca volvulus 0.0156 0.0341 1
Toxoplasma gondii hypothetical protein 0.0053 0.0057 0.0554
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0155 0.0339 0.0528
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.0198 0.3594
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0313 0.0776 0.1275
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0085 0.1548
Echinococcus multilocularis thioredoxin glutathione reductase 0.0138 0.029 0.029
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0115 0.0132
Entamoeba histolytica hypothetical protein 0.0035 0.0006 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0115 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0313 0.0776 0.1303
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0115 0.2996
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0137 0.0289 0.044
Leishmania major trypanothione reductase 0.0137 0.0289 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0115 0.2083
Entamoeba histolytica hypothetical protein 0.0035 0.0006 0.5
Toxoplasma gondii thioredoxin reductase 0.0137 0.0289 0.8319
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0006 0.0006
Mycobacterium tuberculosis Conserved protein 0.0074 0.0115 0.0132
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0085 0.0085
Brugia malayi beta-lactamase family protein 0.0074 0.0115 0.2083
Mycobacterium leprae Probable lipase LipE 0.0074 0.0115 0.0103
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0071 0.0106 0.1931
Echinococcus multilocularis peptidase Clp (S14 family) 0.0102 0.0191 0.0191
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0115 0.0132
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0155 0.0339 1
Echinococcus granulosus peptidase Clp S14 family 0.0102 0.0191 0.0191
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0115 0.0115
Schistosoma mansoni thyroid hormone receptor 0.0137 0.0288 0.0288
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0106 0.1931
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.0551 0.0551
Mycobacterium ulcerans lipase LipD 0.0074 0.0115 0.0132
Schistosoma mansoni microtubule-associated protein tau 0.3637 1 1
Loa Loa (eye worm) beta-lactamase 0.0074 0.0115 0.2083
Loa Loa (eye worm) glutathione reductase 0.0137 0.0289 0.5245
Mycobacterium tuberculosis Probable oxidoreductase 0.0348 0.0873 0.1474
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0155 0.0339 0.05
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0102 0.0191 0.0266
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.0198 0.3594
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0102 0.0191 0.0266
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0115 0.2083
Loa Loa (eye worm) thioredoxin reductase 0.0137 0.0289 0.5245
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0048 0.004 0.004
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0115 0.2996
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0348 0.0873 0.1474
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0155 0.0339 1
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0115 0.0132
Brugia malayi beta-lactamase family protein 0.0074 0.0115 0.2083
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.2083 0.5689 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0115 0.0115
Mycobacterium ulcerans beta-lactamase 0.0074 0.0115 0.0132
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0262 0.4763
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0115 0.0132
Plasmodium falciparum thioredoxin reductase 0.0137 0.0289 0.8319
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0348 0.0873 0.1474
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0155 0.0339 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0155 0.0339 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0053 0.0057 0.0554
Brugia malayi Thioredoxin reductase 0.0137 0.0289 0.5245
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0048 0.004 0.073
Loa Loa (eye worm) hypothetical protein 0.0074 0.0115 0.2083
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0115 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0115 0.0132
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0115 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0155 0.0339 1
Brugia malayi MH2 domain containing protein 0.0128 0.0262 0.4763
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0071 0.0106 0.0106
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0035 0.0005 0.0095
Mycobacterium tuberculosis Conserved protein 0.0074 0.0115 0.0132
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0115 0.0132
Mycobacterium ulcerans TetR family transcriptional regulator 0.2087 0.57 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0115 0.2083
Trichomonas vaginalis esterase, putative 0.0074 0.0115 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0115 0.2083
Onchocerca volvulus 0.0074 0.0115 0.2493
Entamoeba histolytica hypothetical protein 0.0035 0.0006 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0006 0.0006
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0155 0.0339 1
Mycobacterium ulcerans transcriptional regulator 0.2087 0.57 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0155 0.0339 1
Brugia malayi glutathione reductase 0.0137 0.0289 0.5245
Echinococcus granulosus tar DNA binding protein 0.0064 0.0085 0.0085
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0348 0.0873 0.1446
Brugia malayi Probable ClpP-like protease 0.0155 0.0339 0.6157
Schistosoma mansoni thyroid hormone receptor 0.0137 0.0288 0.0288

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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