Detailed information for compound 767189

Basic information

Technical information
  • TDR Targets ID: 767189
  • Name: methyl 2-amino-4-(5-bromo-2-methoxyphenyl)-7, 7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-ca rboxylate
  • MW: 436.296 | Formula: C20H22BrNO5
  • H donors: 1 H acceptors: 2 LogP: 3.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=C(N)OC2=C(C1c1cc(Br)ccc1OC)C(=O)CC(C2)(C)C
  • InChi: 1S/C20H22BrNO5/c1-20(2)8-12(23)16-14(9-20)27-18(22)17(19(24)26-4)15(16)11-7-10(21)5-6-13(11)25-3/h5-7,15H,8-9,22H2,1-4H3
  • InChiKey: IKEWAUXBYZCGRA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-amino-4-(5-bromo-2-methoxy-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
  • 2-amino-4-(5-bromo-2-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester
  • 2-amino-4-(5-bromo-2-methoxy-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester
  • A3380/0143413
  • UNM000000693201
  • EU-0082825

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
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0123 0.1232 1
Loa Loa (eye worm) phosphofructokinase 0.0123 0.1232 0.7147
Mycobacterium ulcerans 6-phosphofructokinase 0.0123 0.1232 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0086 1
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0086 0.0663
Brugia malayi 6-phosphofructokinase 0.0123 0.1232 0.7147
Schistosoma mansoni hypothetical protein 0.0051 0.0314 0.2518
Schistosoma mansoni 6-phosphofructokinase 0.0123 0.1232 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0027 0.0005 0.5
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0033 0.0086 0.5
Toxoplasma gondii 6-phosphofructokinase 0.0033 0.0086 0.0081
Echinococcus multilocularis 6 phosphofructokinase 0.0123 0.1232 1
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0314 0.1799
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0033 0.0086 0.0081
Echinococcus multilocularis apoptotic protease activating factor 1 0.0068 0.0522 0.4213
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0086 0.0663
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.1232 1
Onchocerca volvulus 0.0068 0.0522 0.3904
Echinococcus granulosus caspase 2 0.0068 0.0522 0.4213
Onchocerca volvulus Huntingtin homolog 0.0131 0.1329 1
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0086 0.0663
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1232 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0314 0.2518
Onchocerca volvulus Cell death protein 3 homolog 0.0068 0.0522 0.3904
Echinococcus granulosus 6 phosphofructokinase 0.0123 0.1232 1
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1232 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0086 1
Schistosoma mansoni 6-phosphofructokinase 0.0123 0.1232 1
Schistosoma mansoni hypothetical protein 0.0053 0.0341 0.2744
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0314 0.2518
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0086 1
Trypanosoma brucei RNA helicase, putative 0.0092 0.083 0.1087
Trypanosoma brucei pteridine reductase 1 0.0627 0.7633 1
Schistosoma mansoni hypothetical protein 0.0111 0.107 0.8681
Echinococcus multilocularis GPCR, family 2 0.0051 0.0314 0.2518
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0162 0.1721 1
Toxoplasma gondii phosphofructokinase PFKII 0.0033 0.0086 0.0081
Loa Loa (eye worm) hypothetical protein 0.0068 0.0522 0.3011
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0314 0.1799
Schistosoma mansoni hypothetical protein 0.0051 0.0314 0.2518
Echinococcus granulosus GPCR family 2 0.0051 0.0314 0.2518
Loa Loa (eye worm) 6-phosphofructokinase 0.0123 0.1232 0.7147
Schistosoma mansoni hypothetical protein 0.0051 0.0314 0.2518
Brugia malayi Cell death protein 3 precursor 0.0068 0.0522 0.3011
Onchocerca volvulus Huntingtin homolog 0.0131 0.1329 1
Leishmania major ATP-dependent phosphofructokinase 0.0123 0.1232 0.1608
Echinococcus granulosus apoptotic protease activating factor 1 0.0068 0.0522 0.4213
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.1232 1
Brugia malayi hypothetical protein 0.0068 0.0522 0.3011
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0033 0.0086 0.0663
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0314 0.2518
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0086 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0123 0.1232 1
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0086 0.0663
Schistosoma mansoni hypothetical protein 0.0068 0.0522 0.4213
Schistosoma mansoni hypothetical protein 0.0092 0.083 0.6726
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1232 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0086 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0086 1
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.1232 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1329 0.7713
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0123 0.1232 0.1614
Schistosoma mansoni hypothetical protein 0.0051 0.0314 0.2518
Loa Loa (eye worm) hypothetical protein 0.0111 0.107 0.6204
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0027 0.0005 0.0006
Brugia malayi latrophilin 2 splice variant baaae 0.0111 0.107 0.6204
Brugia malayi Calcitonin receptor-like protein seb-1 0.0162 0.1721 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0522 0.3011
Echinococcus multilocularis caspase 2 0.0068 0.0522 0.4213
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0086 0.0663
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0123 0.1232 1
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0027 0.0005 0.5
Loa Loa (eye worm) 6-phosphofructokinase 0.0123 0.1232 0.7147
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0162 0.1721 1
Trypanosoma brucei oxidoreductase-like protein 0.0027 0.0005 0.0006
Brugia malayi 6-phosphofructokinase 0.0123 0.1232 0.7147
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0086 0.0663
Loa Loa (eye worm) hypothetical protein 0.0051 0.0314 0.1799
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0033 0.0086 0.0663
Loa Loa (eye worm) hypothetical protein 0.0162 0.1721 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0314 0.1799
Leishmania major pteridine reductase 1 0.0627 0.7633 1
Brugia malayi hypothetical protein 0.0131 0.1329 0.7713
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0314 0.2518
Brugia malayi phosphofructokinase 0.0123 0.1232 0.7147
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0123 0.1232 1
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1232 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1329 0.7713
Schistosoma mansoni caspase-7 (C14 family) 0.0068 0.0522 0.4213

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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