Detailed information for compound 1293423

Basic information

Technical information
  • TDR Targets ID: 1293423
  • Name: methyl 4-(7-hydroxy-7-methyl-6,8-dioxoisochro men-3-yl)butanoate
  • MW: 292.284 | Formula: C15H16O6
  • H donors: 1 H acceptors: 4 LogP: 0.21 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CCCC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)O
  • InChi: 1S/C15H16O6/c1-15(19)12(16)7-9-6-10(4-3-5-13(17)20-2)21-8-11(9)14(15)18/h6-8,19H,3-5H2,1-2H3
  • InChiKey: QGXIKPICNIFOBH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-(7-hydroxy-7-methyl-6,8-dioxo-isochromen-3-yl)butanoate
  • 4-(7-hydroxy-7-methyl-6,8-dioxo-3-isochromenyl)butanoic acid methyl ester
  • 4-(7-hydroxy-6,8-diketo-7-methyl-isochromen-3-yl)butyric acid methyl ester

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 0.0018 0.0232 0.0232
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0759 1
Schistosoma mansoni ran 0.0021 0.0303 0.0472
Schistosoma mansoni survival motor neuron protein 0.0096 0.192 0.2991
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0361 0.5287
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.2856 0.2856
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2046 0.2046
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0465 0.3899
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1193 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0465 0.0465
Schistosoma mansoni ferritin 0.0009 0.0037 0.0058
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0759 0.6365
Schistosoma mansoni ran 0.0021 0.0303 0.0472
Loa Loa (eye worm) hypothetical protein 0.0018 0.0232 0.0232
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0303 0.3986
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0361 0.5287
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1186 0.1186
Echinococcus multilocularis snurportin 1 0.0303 0.6419 0.6419
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0349 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0349 0.4592
Loa Loa (eye worm) hypothetical protein 0.0024 0.0361 0.0361
Brugia malayi MH1 domain containing protein 0.0009 0.0039 0.0039
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.6419 0.6419
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0361 0.303
Loa Loa (eye worm) hypothetical protein 0.0018 0.0232 0.0232
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1817 0.1817
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0303 0.0303
Schistosoma mansoni smad1 5 8 and 0.0009 0.0039 0.0061
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0039 0.0039
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0361 0.303
Mycobacterium ulcerans hypothetical protein 0.0024 0.0361 0.303
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0361 0.303
Schistosoma mansoni hypothetical protein 0.0303 0.6419 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0759 0.0759
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0039 0.0039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1817 0.1817
Plasmodium falciparum importin beta, putative 0.0028 0.0465 0.6804
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0232 0.3395
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0361 0.303
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.2627 0.2627
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0039 0.0061
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1186 0.1847
Schistosoma mansoni ferritin 0.0009 0.0037 0.0058
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1817 0.1817
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1817 0.283
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1193 1
Brugia malayi MH2 domain containing protein 0.0009 0.0039 0.0039
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0211 0.177
Brugia malayi MH2 domain containing protein 0.0128 0.2627 0.2627
Schistosoma mansoni hypothetical protein 0.0032 0.0545 0.0848
Schistosoma mansoni ferritin light chain 0.0009 0.0037 0.0058
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.192 0.192
Loa Loa (eye worm) hypothetical protein 0.0069 0.1351 0.1351
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0361 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0545 0.0545
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0361 0.5287
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1193 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0545 0.0545
Echinococcus multilocularis smad 0.0009 0.0039 0.0039
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0039 0.0039
Leishmania major GTP-binding protein, putative 0.0021 0.0303 0.2537
Schistosoma mansoni hypothetical protein 0.0032 0.0545 0.0848
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0361 0.0361
Echinococcus granulosus importin subunit beta 1 0.0028 0.0465 0.0465
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0349 0.4592
Schistosoma mansoni hypothetical protein 0.0096 0.192 0.2991
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0037 0.0313
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0039 0.0039
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0545 0.0545
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0759 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0303 0.4427
Schistosoma mansoni smad1 5 8 and 0.0009 0.0039 0.0061
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0361 0.303
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1351 0.1351
Schistosoma mansoni Smad4 0.0009 0.0039 0.0061
Schistosoma mansoni ferritin light chain 0.0009 0.0037 0.0058
Echinococcus multilocularis expressed protein 0.0009 0.0037 0.0037
Schistosoma mansoni ferritin 0.0009 0.0037 0.0058
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0759 0.6365
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1193 1
Trichomonas vaginalis ferritin, putative 0.0009 0.0037 0.0491
Schistosoma mansoni hypothetical protein 0.0032 0.0545 0.0848
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0232 0.1945
Brugia malayi Importin beta-1 subunit 0.0028 0.0465 0.0465
Echinococcus granulosus tar DNA binding protein 0.0062 0.1186 0.1186
Loa Loa (eye worm) hypothetical protein 0.0101 0.2046 0.2046
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0349 0.4592
Entamoeba histolytica hypothetical protein 0.0023 0.0349 0.5102
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1186 0.1847
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0037 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.2943 0.2943
Echinococcus granulosus expressed protein 0.0009 0.0037 0.0037
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0361 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0039 0.0061
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1186 0.1186
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0303 0.0303
Brugia malayi MH1 domain containing protein 0.0009 0.0039 0.0039
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1193 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0361 0.303
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0361 0.303
Loa Loa (eye worm) hypothetical protein 0.0018 0.0232 0.0232
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1193 0.1193
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0361 0.0361
Trichomonas vaginalis ran, putative 0.0021 0.0303 0.3986
Onchocerca volvulus 0.0024 0.0361 0.1882
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0037 0.0313
Schistosoma mansoni importin beta-1 0.0028 0.0465 0.0725
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.2943 0.4585
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0232 0.1945
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1817 0.1817
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0361 0.303
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0684 1
Brugia malayi RNA, U transporter 1 0.0081 0.16 0.16
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1817 0.283
Brugia malayi Smad1 0.0009 0.0039 0.0039
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0545 0.0545
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0303 0.8679
Plasmodium vivax importin-beta 2, putative 0.0028 0.0465 0.6125
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0303 0.6507
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1193 1
Loa Loa (eye worm) acetyltransferase 0.0143 0.2943 0.2943
Brugia malayi RNA binding protein 0.0062 0.1186 0.1186
Echinococcus granulosus ferritin 0.0009 0.0037 0.0037
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2046 0.2046
Leishmania major importin beta-1 subunit, putative 0.0023 0.0349 0.2923
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0232 0.3056
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0037 0.0313
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1193 0.1193
Onchocerca volvulus 0.0096 0.192 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0361 0.0361
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0232 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0039 0.0039
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0465 1
Schistosoma mansoni hypothetical protein 0.0032 0.0545 0.0848
Echinococcus granulosus smad 0.0009 0.0039 0.0039
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1186 0.1847
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1186 0.1186
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0039 0.0039
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0545 0.0545
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1193 0.1859
Brugia malayi MH2 domain containing protein 0.0009 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0024 0.0361 0.0361
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0303 0.0303
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.2627 0.2627
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0211 0.177
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1186 0.1847
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0211 0.177
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0759 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0684 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1186 0.1847
Schistosoma mansoni smad 0.0009 0.0039 0.0061
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0545 0.0545
Echinococcus granulosus Smad4 0.0009 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.0069 0.1351 0.2104
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0545 0.0545
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0303 0.2537
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1817 0.1817
Echinococcus granulosus snurportin 1 0.0303 0.6419 0.6419
Echinococcus multilocularis Smad4 0.0009 0.0039 0.0039
Echinococcus granulosus GPCR family 2 0.0032 0.0545 0.0545
Echinococcus multilocularis GPCR, family 2 0.0032 0.0545 0.0545
Schistosoma mansoni apoferritin-2 0.0009 0.0037 0.0058
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.2943 0.2943
Schistosoma mansoni ferritin 0.0009 0.0037 0.0058
Schistosoma mansoni apoferritin-2 0.0009 0.0037 0.0058
Loa Loa (eye worm) Smad1 0.0009 0.0039 0.0039
Echinococcus multilocularis ferritin 0.0009 0.0037 0.0037
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2046 0.2046
Brugia malayi TAR-binding protein 0.0062 0.1186 0.1186
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0361 0.0361
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0211 0.177
Loa Loa (eye worm) hypothetical protein 0.0018 0.0232 0.0232
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0361 0.303
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1817 0.283
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0037 0.1032
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0361 0.303
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1186 0.1186
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0037 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0684 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.1186 0.1186
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0465 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1193 0.1859
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0303 0.8679
Entamoeba histolytica Ran family GTPase 0.0021 0.0303 0.4427
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0361 0.303
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0037 0.0313
Loa Loa (eye worm) hypothetical protein 0.0028 0.0465 0.0465
Loa Loa (eye worm) hypothetical protein 0.0032 0.0545 0.0545
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0303 0.0303
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0361 0.303
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1817 0.1817

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 28.954 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference

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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