Detailed information for compound 757771

Basic information

Technical information
  • TDR Targets ID: 757771
  • Name: ethyl 6-bromo-4-[(3,4-dimethoxyphenyl)amino]q uinoline-3-carboxylate
  • MW: 431.28 | Formula: C20H19BrN2O4
  • H donors: 1 H acceptors: 2 LogP: 5.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cnc2c(c1Nc1ccc(c(c1)OC)OC)cc(cc2)Br
  • InChi: 1S/C20H19BrN2O4/c1-4-27-20(24)15-11-22-16-7-5-12(21)9-14(16)19(15)23-13-6-8-17(25-2)18(10-13)26-3/h5-11H,4H2,1-3H3,(H,22,23)
  • InChiKey: QNUZDQZKKGQUSS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-bromo-4-[(3,4-dimethoxyphenyl)amino]-3-quinolinecarboxylic acid ethyl ester
  • 6-bromo-4-[(3,4-dimethoxyphenyl)amino]quinoline-3-carboxylic acid ethyl ester
  • EU-0079601
  • ZINC00951947
  • ST5324739
  • Oprea1_539105

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
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0102 0.0349
Brugia malayi Pre-SET motif family protein 0.0229 0.8763 1
Schistosoma mansoni cpg binding protein 0.0032 0.1047 0.3584
Onchocerca volvulus 0.0166 0.6283 0.588
Trichomonas vaginalis set domain proteins, putative 0.0261 1 1
Schistosoma mansoni hypothetical protein 0.0036 0.1203 0.4115
Plasmodium vivax SET domain protein, putative 0.0033 0.1092 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0979 0.1013
Schistosoma mansoni hypothetical protein 0.008 0.2923 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1587 0.1714
Schistosoma mansoni Smad4 0.0008 0.0102 0.0349
Loa Loa (eye worm) hypothetical protein 0.0033 0.1092 0.1143
Loa Loa (eye worm) hypothetical protein 0.0124 0.4617 0.5214
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.008 0.2923 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0439 0.1195
Schistosoma mansoni smad 0.0008 0.0102 0.0349
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.1092 0.3735
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.4494 0.5071
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1587 0.5263
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.2098 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1861 0.2031
Entamoeba histolytica hypothetical protein 0.008 0.2923 0.5
Schistosoma mansoni transcription factor LCR-F1 0.008 0.2923 1
Echinococcus granulosus cpg binding protein 0.0032 0.1047 0.3351
Schistosoma mansoni cpg binding protein 0.0032 0.1047 0.3584
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0126 0.0084
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0126 0.0084
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.008 0.2923 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1861 0.2031
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0439 0.1195
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0229 0.8763 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0439 0.0389
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0439 0.0389
Loa Loa (eye worm) hypothetical protein 0.0053 0.1861 0.2031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1587 0.5263
Schistosoma mansoni smad1 5 8 and 0.0008 0.0102 0.0349
Brugia malayi hypothetical protein 0.008 0.2923 0.3257
Onchocerca volvulus 0.0033 0.1092 0.0125
Schistosoma mansoni smad1 5 8 and 0.0008 0.0102 0.0349
Loa Loa (eye worm) hypothetical protein 0.0036 0.1203 0.1271
Loa Loa (eye worm) hypothetical protein 0.0124 0.4617 0.5214
Echinococcus granulosus GPCR family 2 0.0017 0.0439 0.1195
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0199 0.0112
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1587 0.5429
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0126 0.0084
Entamoeba histolytica hypothetical protein 0.008 0.2923 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0439 0.1195
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1587 0.5429
Schistosoma mansoni hypothetical protein 0.0017 0.0439 0.1502
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0199 0.0343
Schistosoma mansoni cpg binding protein 0.0031 0.0979 0.335
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0194 0.0106
Entamoeba histolytica hypothetical protein 0.008 0.2923 0.5
Brugia malayi hypothetical protein 0.0166 0.6283 0.7137
Onchocerca volvulus Huntingtin homolog 0.0124 0.4617 0.4033
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.1092 0.3508
Brugia malayi hypothetical protein 0.0124 0.4617 0.5214
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.1092 0.3508
Entamoeba histolytica hypothetical protein 0.008 0.2923 0.5
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0439 0.0389
Schistosoma mansoni hypothetical protein 0.0017 0.0439 0.1502
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1587 0.5429
Onchocerca volvulus Huntingtin homolog 0.0124 0.4617 0.4033
Schistosoma mansoni hypothetical protein 0.0017 0.0439 0.1502
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1587 0.5263
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.1018 0.3248
Schistosoma mansoni hypothetical protein 0.0017 0.0439 0.1502
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0439 0.0389
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.1092 0.3735
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.4494 0.5071
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.237 0.8107
Schistosoma mansoni smad1 5 8 and 0.0008 0.0102 0.0349
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.1092 0.3735
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0439 0.1195
Echinococcus multilocularis cpg binding protein 0.0032 0.1047 0.3351
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.1092 0.3508
Loa Loa (eye worm) hypothetical protein 0.0166 0.6283 0.7137
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1203 0.1271
Brugia malayi Pre-SET motif family protein 0.0033 0.1092 0.1143
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0126 0.043
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1861 0.2031
Echinococcus multilocularis GPCR, family 2 0.0017 0.0439 0.1195
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0126 0.0084
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1587 0.5263
Brugia malayi MH2 domain containing protein 0.012 0.4494 0.5071
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.1092 0.3735
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0199 0.0343
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1587 0.1714
Brugia malayi CXXC zinc finger family protein 0.0031 0.0979 0.1013

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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