Detailed information for compound 1178308

Basic information

Technical information
  • TDR Targets ID: 1178308
  • Name: 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1- benzofuran-4-ol
  • MW: 284.307 | Formula: C17H16O4
  • H donors: 2 H acceptors: 2 LogP: 3.98 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(c2oc3c(c2)c(O)ccc3)c(c(c1C)O)C
  • InChi: 1S/C17H16O4/c1-9-11(7-15(20-3)10(2)17(9)19)16-8-12-13(18)5-4-6-14(12)21-16/h4-8,18-19H,1-3H3
  • InChiKey: LWQZXNMQJHPTQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-hydroxy-5-methoxy-2,4-dimethyl-phenyl)benzofuran-4-ol
  • 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-4-benzofuranol
  • 2-(3-hydroxy-5-methoxy-2,4-dimethyl-phenyl)-1-benzofuran-4-ol
  • 4-benzofuranol, 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-
  • InChI=1/C17H16O4/c1-9-11(7-15(20-3)10(2)17(9)19)16-8-12-13(18)5-4-6-14(12)21-16/h4-8,18-19H,1-3H

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 brucei DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Brugia malayi PAS domain containing protein 0.0049 0.0516 0.1795
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0425 0.097
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0145 0.191 0.4465
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0356 0.0502
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.4118 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0295 0.4118 1
Echinococcus granulosus single minded 2 0.0036 0.0329 0.0329
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0409 0.0932
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0044 0.0074
Leishmania major trypanothione reductase 0.0038 0.0356 0.0809
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.1215 0.5629
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.0511 0.116
Loa Loa (eye worm) DNA topoisomerase I 0.0191 0.2587 0.9002
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.0516 0.0516
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0238 0.0238
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0012 0.0012
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0111 0.046
Brugia malayi Thioredoxin reductase 0.0038 0.0356 0.1239
Loa Loa (eye worm) hypoxia-induced factor 1 0.0152 0.2023 0.7039
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0238 0.0238
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0409 0.0437
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0409 0.0437
Onchocerca volvulus 0.003 0.0238 0.0722
Brugia malayi Pre-SET motif family protein 0.003 0.0238 0.0828
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.1073 0.4962
Echinococcus multilocularis ras gtpase 0.0058 0.0645 0.0645
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0425 0.097
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.4118 1
Echinococcus granulosus DNA topoisomerase 1 0.0191 0.2587 0.2587
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Toxoplasma gondii thioredoxin reductase 0.0038 0.0356 0.0502
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0166 0.2224 0.2224
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Mycobacterium tuberculosis Probable reductase 0.0087 0.1073 0.4962
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.0511 0.0275
Leishmania major DNA topoisomerase type IB small subunit 0.0048 0.0498 0.1142
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.4118 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0425 0.097
Trichomonas vaginalis rheb, putative 0.0058 0.0645 0.0638
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0238 0.0238
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.1073 0.4962
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Loa Loa (eye worm) acetyltransferase 0.0166 0.2224 0.7739
Schistosoma mansoni DNA topoisomerase type I 0.0143 0.1886 0.1886
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.026 0.0582
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.4118 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0012 0.0043
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.2149 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.0451 0.1068
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0562 0.1293
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0238 0.0238
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0409 0.0932
Loa Loa (eye worm) Ras protein let-60 0.0058 0.0645 0.2246
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.026 0.0582
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0329 0.0329
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0238 0.0238
Brugia malayi Ras protein let-60 0.0058 0.0645 0.2246
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.191 0.4465
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.0511 0.0275
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Schistosoma mansoni DNA polymerase eta 0.0015 0.0012 0.0012
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0451 0.0426
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0222 0.0222
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.1215 0.5629
Loa Loa (eye worm) hypothetical protein 0.003 0.0238 0.0828
Trichomonas vaginalis set domain proteins, putative 0.0239 0.3299 0.7792
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.4118 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.1215 0.1705
Trichomonas vaginalis dexras1, putative 0.0058 0.0645 0.0638
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0143 0.1886 0.4408
Leishmania major DNA polymerase kappa, putative 0.0021 0.0111 0.0231
Brugia malayi hypothetical protein 0.0165 0.221 0.7689
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.0511 0.116
Loa Loa (eye worm) hypothetical protein 0.0032 0.026 0.0904
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0409 0.0409
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0044 0.0074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0238 0.0238
Trypanosoma brucei unspecified product 0.0035 0.031 0.0701
Plasmodium vivax glutathione reductase, putative 0.0038 0.0356 0.0502
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.4118 1
Entamoeba histolytica Ras family GTPase 0.0058 0.0645 0.1542
Echinococcus granulosus ras gtpase 0.0058 0.0645 0.0645
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.1073 0.4962
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0356 0.1608
Brugia malayi Ras-related protein R-Ras2 0.0058 0.0645 0.2246
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0143 0.1886 0.4408
Trichomonas vaginalis ral, putative 0.0058 0.0645 0.0638
Plasmodium vivax topoisomerase I, putative 0.0191 0.2587 1
Leishmania major DNA topoisomerase IB, large subunit 0.0143 0.1886 0.4408
Brugia malayi Pre-SET motif family protein 0.021 0.2874 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0111 0.0231
Entamoeba histolytica ras-1, putative 0.0058 0.0645 0.1542
Brugia malayi hypoxia-induced factor 1 0.0152 0.2023 0.7039
Trichomonas vaginalis ras-dva small GTPase, putative 0.0058 0.0645 0.0638
Echinococcus multilocularis DNA topoisomerase 1 0.0191 0.2587 0.2587
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.191 0.4465
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0238 0.0238
Brugia malayi DNA topoisomerase I 0.0191 0.2587 0.9002
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.1073 0.4962
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0044 0.0074
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0305 0.4262 1
Brugia malayi acetyltransferase, GNAT family protein 0.0166 0.2224 0.7739
Echinococcus granulosus dna polymerase kappa 0.0042 0.0409 0.0409
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.0511 0.116
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0363 0.0363
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Loa Loa (eye worm) hypothetical protein 0.0058 0.0645 0.2246
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0144 0.1908 1
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0329 0.1145
Trichomonas vaginalis rap1 and, putative 0.0058 0.0645 0.0638
Schistosoma mansoni single-minded 0.0049 0.0516 0.0516
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0356 0.1239
Echinococcus granulosus dna polymerase eta 0.0015 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0165 0.221 0.7689
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Loa Loa (eye worm) glutathione reductase 0.0038 0.0356 0.1239
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0111 0.0231
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0363 0.0363
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.4118 1
Leishmania major mitochondrial DNA polymerase beta 0.0305 0.4262 1
Entamoeba histolytica Ras family GTPase 0.0058 0.0645 0.1542
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0012 0.0043
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.4262 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.4118 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0012 0.0012
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0356 0.0809
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.031 0.0701
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Treponema pallidum fructose-bisphosphate aldolase 0.0295 0.4118 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0409 0.0932
Trichomonas vaginalis GTP-binding protein rit, putative 0.0058 0.0645 0.0638
Echinococcus granulosus histone acetyltransferase KAT2B 0.0161 0.2156 0.2156
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0144 0.1908 0.8675
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.4118 1
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.0048 0.0498 0.1142
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.4262 1
Mycobacterium ulcerans hypothetical protein 0.0161 0.2149 1
Toxoplasma gondii DNA topoisomerase I, putative 0.0191 0.2587 1
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.0048 0.0498 0.1142
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.1908 0.8871
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.1073 0.4962
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.0012 0.0012
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0166 0.2224 0.2224
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.0511 0.0511
Schistosoma mansoni DNA topoisomerase type I 0.0143 0.1886 0.1886
Toxoplasma gondii hypothetical protein 0.0049 0.0517 0.1187
Onchocerca volvulus 0.0036 0.0329 0.0997
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.0451 0.0849
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0012 0.0043
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.2874 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0043
Onchocerca volvulus 0.0239 0.3299 1
Brugia malayi polk-prov protein 0.0032 0.026 0.0904
Schistosoma mansoni DNA topoisomerase type I 0.0191 0.2587 0.2587
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.4118 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0425 0.097
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.1215 0.5629
Echinococcus multilocularis dna polymerase eta 0.0015 0.0012 0.0012
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0015 0.0012 0.0012
Plasmodium falciparum topoisomerase I 0.0191 0.2587 1
Trypanosoma brucei trypanothione reductase 0.0038 0.0356 0.0809
Brugia malayi glutathione reductase 0.0038 0.0356 0.1239

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 7.8 ug ml-1 Antifungal activity against Cryptococcus neoformans by broth dilution method ChEMBL. 21126060
MIC (functional) = 31.3 ug ml-1 Antifungal activity against Candida albicans by broth dilution method ChEMBL. 21126060
MIC (functional) = 62.5 ug ml-1 Antibacterial activity against Escherichia coli by broth dilution method ChEMBL. 21126060
MIC (functional) = 250 ug ml-1 Antimicrobial activity against Escherichia coli ChEMBL. 21049906
MIC (functional) = 250 ug ml-1 Antimicrobial activity against Candida albicans ChEMBL. 21049906
MIC (functional) = 250 ug ml-1 Antimicrobial activity against Cryptococcus neoformans ChEMBL. 21049906

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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