Detailed information for compound 956774

Basic information

Technical information
  • TDR Targets ID: 956774
  • Name: Methyl 3,4-dimethoxybenzoate
  • MW: 196.2 | Formula: C10H12O4
  • H donors: 0 H acceptors: 1 LogP: 1.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(c(c1)OC)OC
  • InChi: 1S/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3
  • InChiKey: BIGQPYZPEWAPBG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,4-Dimethoxybenzoic acid methyl ester
  • 2150-38-1
  • ZINC00406991
  • ST5406427
  • AI3-20957
  • EINECS 218-424-1
  • NSC 15668
  • Veratric acid, methyl ester (8CI)
  • 197955_ALDRICH
  • InChI=1/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H
  • Benzoic acid, 3,4-dimethoxy-, methyl ester
  • Methyl veratrate
  • NSC15668
  • Veratric 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
Onchocerca volvulus 0.001 0.0081 0.0126
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0168 0.4327 0.454
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.001 0.0081 0.0081
Schistosoma mansoni smad 0.0011 0.0095 0.0095
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0145 0.0153
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.5618 0.5894
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.2529 0.2654
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0634 0.5122
Brugia malayi Pre-SET motif family protein 0.0031 0.0634 0.0665
Loa Loa (eye worm) thioredoxin reductase 0.005 0.116 0.1217
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0462 0.0462
Echinococcus granulosus mothers against decapentaplegic 2 0.0011 0.0095 0.0095
Schistosoma mansoni tar DNA-binding protein 0.0147 0.3782 0.3782
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0271 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0271 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0271 0.0284
Brugia malayi hypothetical protein 0.001 0.0081 0.0085
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.001 0.0081 0.0085
Loa Loa (eye worm) hypothetical protein 0.001 0.0081 0.0085
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0053 0.1232 0.1232
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0053 0.1232 0.1232
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.1151 0.9921
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.325 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.2529 0.2529
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0081 0.0081
Echinococcus multilocularis smad 0.0025 0.0462 0.0462
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0081 0.0085
Trypanosoma brucei trypanothione reductase 0.005 0.116 1
Schistosoma mansoni smad1 5 8 and 0.0025 0.0462 0.0462
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.2904 0.8837
Brugia malayi MH1 domain containing protein 0.0014 0.0166 0.0174
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0271 0.2333
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.001 0.0081 0.0126
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0271 0.2333
Schistosoma mansoni tar DNA-binding protein 0.0147 0.3782 0.3782
Loa Loa (eye worm) MH2 domain-containing protein 0.036 0.9532 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.2529 0.2529
Echinococcus granulosus mothers against decapentaplegic 6 0.0011 0.0095 0.0095
Schistosoma mansoni hypothetical protein 0.0053 0.1232 0.1232
Loa Loa (eye worm) hypothetical protein 0.0157 0.4052 0.4251
Loa Loa (eye worm) transcription factor SMAD2 0.036 0.9532 1
Loa Loa (eye worm) RNA binding protein 0.0147 0.3782 0.3967
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.325 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.017 0.4398 0.4398
Plasmodium falciparum histone acetyltransferase GCN5 0.0046 0.1039 0.8637
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0081 0.0081
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0011 0.0095 0.0149
Schistosoma mansoni hypothetical protein 0.0115 0.2894 0.2894
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0271 0.2333
Brugia malayi latrophilin 2 splice variant baaae 0.0115 0.2894 0.3037
Brugia malayi MH2 domain containing protein 0.0025 0.0462 0.0485
Schistosoma mansoni Smad4 0.0011 0.0095 0.0095
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0145 0.0153
Schistosoma mansoni hypothetical protein 0.0053 0.1232 0.1232
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.116 0.116
Entamoeba histolytica acetyltransferase, GNAT family 0.0046 0.1039 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.2904 0.8837
Brugia malayi MH2 domain containing protein 0.036 0.9532 1
Brugia malayi MH1 domain containing protein 0.0025 0.0462 0.0485
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0271 0.2333
Schistosoma mansoni regulator of G protein signaling 0.001 0.0081 0.0081
Schistosoma mansoni hypothetical protein 0.0378 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0011 0.0095 0.01
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0271 0.0271
Echinococcus granulosus histone acetyltransferase KAT2B 0.0165 0.4269 0.4269
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0271 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0147 0.3782 0.3967
Loa Loa (eye worm) hypothetical protein 0.0115 0.2894 0.3037
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0462 0.0462
Schistosoma mansoni hypothetical protein 0.0053 0.1232 0.1232
Brugia malayi Thioredoxin reductase 0.005 0.116 0.1217
Loa Loa (eye worm) TAR-binding protein 0.0147 0.3782 0.3967
Echinococcus multilocularis mothers against decapentaplegic 6 0.0011 0.0095 0.0095
Onchocerca volvulus 0.0031 0.0634 0.0987
Brugia malayi hypothetical protein 0.001 0.0081 0.0085
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0212 0.5527 0.8607
Loa Loa (eye worm) MH1 domain-containing protein 0.0011 0.0095 0.01
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0081 0.0085
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.2904 0.8837
Brugia malayi RNA binding protein 0.0147 0.3782 0.3967
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.1151 0.1793
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.2904 0.8837
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.017 0.4398 0.4398
Schistosoma mansoni Smad4 0.0025 0.0462 0.0462
Schistosoma mansoni smad1 5 8 and 0.0025 0.0462 0.0462
Brugia malayi MH2 domain containing protein 0.0011 0.0095 0.01
Giardia lamblia Histone acetyltransferase GCN5 0.0046 0.1039 1
Loa Loa (eye worm) hypothetical protein 0.0212 0.5527 0.5799
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0168 0.4327 0.454
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0462 0.0485
Echinococcus multilocularis muscleblind protein 0.0157 0.4052 0.4052
Schistosoma mansoni hypothetical protein 0.0378 1 1
Loa Loa (eye worm) DIX domain-containing protein 0.001 0.0081 0.0085
Loa Loa (eye worm) hypothetical protein 0.0014 0.0166 0.0174
Loa Loa (eye worm) hypothetical protein 0.0157 0.4052 0.4251
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0462 0.0462
Mycobacterium tuberculosis Probable reductase 0.0115 0.2904 0.8837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.2529 0.2529
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0462 0.0462
Schistosoma mansoni hypothetical protein 0.0053 0.1232 0.1232
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0271 0.0271
Onchocerca volvulus 0.0245 0.6422 1
Echinococcus multilocularis GPCR, family 2 0.0053 0.1232 0.1232
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0271 0.2333
Brugia malayi MH1 domain containing protein 0.0014 0.0166 0.0174
Loa Loa (eye worm) acetyltransferase 0.017 0.4398 0.4614
Brugia malayi regulator of G-protein signaling egl-10 0.001 0.0081 0.0085
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.001 0.0081 0.0081
Echinococcus granulosus smad 0.0025 0.0462 0.0462
Plasmodium falciparum thioredoxin reductase 0.005 0.116 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0168 0.4327 0.454
Brugia malayi Muscleblind-like protein 0.0157 0.4052 0.4251
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.116 1
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0271 0.0421
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.116 0.2985
Schistosoma mansoni dishevelled 0.001 0.0081 0.0081
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0634 0.0634
Brugia malayi Latrophilin receptor protein 2 0.0053 0.1232 0.1292
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0271 0.5
Plasmodium falciparum glutathione reductase 0.005 0.116 1
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0271 0.1758
Schistosoma mansoni smad 0.0025 0.0462 0.0462
Leishmania major trypanothione reductase 0.005 0.116 1
Schistosoma mansoni tar DNA-binding protein 0.0147 0.3782 0.3782
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0081 0.0081
Echinococcus granulosus Pleckstrin G protein interacting region 0.001 0.0081 0.0081
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0271 0.0271
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0081 0.0081
Schistosoma mansoni Smad4 0.0011 0.0095 0.0095
Schistosoma mansoni dishevelled 0.001 0.0081 0.0081
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0081 0.0081
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0053 0.1232 0.1292
Echinococcus granulosus muscleblind protein 0.0157 0.4052 0.4052
Trichomonas vaginalis set domain proteins, putative 0.0245 0.6422 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.1151 0.9904
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.116 0.116
Echinococcus granulosus Smad4 0.0025 0.0462 0.0462
Brugia malayi RNA recognition motif domain containing protein 0.0147 0.3782 0.3967
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0634 0.0634
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.1151 0.9921
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0271 0.2333
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.1151 0.1793
Echinococcus multilocularis Smad4 0.0025 0.0462 0.0462
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0634 0.0634
Brugia malayi N-terminal motif family protein 0.0212 0.5527 0.5799
Echinococcus multilocularis geminin 0.0378 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0053 0.1232 0.1232
Echinococcus multilocularis muscleblind protein 1 0.0157 0.4052 0.4052
Schistosoma mansoni tar DNA-binding protein 0.0147 0.3782 0.3782
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0271 0.0421
Echinococcus multilocularis mothers against decapentaplegic 2 0.0011 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0031 0.0634 0.0665
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0603 0.0603
Schistosoma mansoni smad1 5 8 and 0.0025 0.0462 0.0462
Schistosoma mansoni z-protein (S1r protein) 0.001 0.0081 0.0081
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.2904 0.8837
Echinococcus granulosus GPCR family 2 0.0053 0.1232 0.1232
Brugia malayi acetyltransferase, GNAT family protein 0.017 0.4398 0.4614
Loa Loa (eye worm) glutathione reductase 0.005 0.116 0.1217
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.001 0.0081 0.0085
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0634 0.0634
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.2529 0.2654
Plasmodium vivax SET domain protein, putative 0.0031 0.0634 0.4082
Brugia malayi glutathione reductase 0.005 0.116 0.1217
Brugia malayi MH2 domain containing protein 0.0025 0.0462 0.0485
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2529 0.2529
Brugia malayi MH1 domain containing protein 0.0025 0.0462 0.0485
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2529 0.2529
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0053 0.1232 0.1232
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.1151 0.1151
Toxoplasma gondii thioredoxin reductase 0.005 0.116 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0271 0.2333
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0462 0.0485
Brugia malayi TAR-binding protein 0.0147 0.3782 0.3967
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0634 0.0634
Brugia malayi DIX domain containing protein 0.001 0.0081 0.0085
Echinococcus granulosus tar DNA binding protein 0.0147 0.3782 0.3782
Brugia malayi mothers against decapentaplegic homolog 3 0.0011 0.0095 0.01
Loa Loa (eye worm) nuclear factor I 0.0014 0.0166 0.0174
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0462 0.0462
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.325 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0053 0.1232 0.1292
Treponema pallidum NADH oxidase 0.0017 0.0271 0.5
Brugia malayi Pre-SET motif family protein 0.0215 0.5618 0.5894
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0271 0.2333
Schistosoma mansoni dep domain containing protein 0.001 0.0081 0.0081
Brugia malayi Smad1 0.0025 0.0462 0.0485
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0271 0.2333
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0053 0.1232 0.1292
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.325 1
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0081 0.0081
Plasmodium vivax thioredoxin reductase, putative 0.005 0.116 1
Echinococcus multilocularis tar DNA binding protein 0.0147 0.3782 0.3782
Loa Loa (eye worm) Smad1 0.0025 0.0462 0.0485
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.2529 0.2529
Plasmodium vivax glutathione reductase, putative 0.005 0.116 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0095 0.01
Loa Loa (eye worm) hypothetical protein 0.001 0.0081 0.0085
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0271 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.2529 0.2529
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0634 0.0634
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0271 0.1758
Schistosoma mansoni tar DNA-binding protein 0.0147 0.3782 0.3782
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0271 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0634 0.0634
Loa Loa (eye worm) hypothetical protein 0.0168 0.4327 0.454

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of tyrosinase activity in Oryza sativa Indica (rice) bran using L-tyrosine as substrate at 0.5 umol/ml after 60 min by spectrophotometric analysis ChEMBL. 14611153
MIC (functional) = 12 ug ml-1 Antifungal activity against Candida albicans MTCC 227 by serial dilution method ChEMBL. 18597896
MIC (functional) = 18 ug ml-1 Antibacterial activity against Escherichia coli MTCC 739 by serial dilution method ChEMBL. 18597896

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

1 literature reference was collected for this gene.

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