Detailed information for compound 1291724

Basic information

Technical information
  • TDR Targets ID: 1291724
  • Name: 2-(3,4-dimethoxyphenyl)-4,5-bis(4-methoxyphen yl)-1H-imidazole
  • MW: 416.469 | Formula: C25H24N2O4
  • H donors: 1 H acceptors: 1 LogP: 4.93 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(c(c1)OC)OC
  • InChi: 1S/C25H24N2O4/c1-28-19-10-5-16(6-11-19)23-24(17-7-12-20(29-2)13-8-17)27-25(26-23)18-9-14-21(30-3)22(15-18)31-4/h5-15H,1-4H3,(H,26,27)
  • InChiKey: BDRQGELSYCMCHD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00706599
  • Oprea1_140776
  • AG-205/11945045
  • ChemDiv1_021119
  • Oprea1_790245
  • 2-(3,4-Dimethoxy-phenyl)-4,5-bis-(4-methoxy-phenyl)-1H-imidazole
  • BAS 00732627

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens NADPH oxidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Dual oxidase homolog Get druggable targets OG5_127219 All targets in OG5_127219
Loa Loa (eye worm) blistered cuticle protein 3 Get druggable targets OG5_127219 All targets in OG5_127219
Brugia malayi Blistered cuticle protein 3 Get druggable targets OG5_127219 All targets in OG5_127219
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127219 All targets in OG5_127219
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 0.003 0.0251 0.0162
Brugia malayi Pre-SET motif family protein 0.0034 0.0313 0.0174
Loa Loa (eye worm) hypothetical protein 0.0024 0.0177 0.0087
Mycobacterium tuberculosis Probable aminotransferase 0.0156 0.203 1
Mycobacterium ulcerans L-lysine aminotransferase 0.0022 0.0147 0.029
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0141 0.1069
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0147 0.5
Brugia malayi Importin beta-1 subunit 0.003 0.0251 0.0111
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0443 0.7441
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0156 0.203 1
Loa Loa (eye worm) RNA binding protein 0.0203 0.2677 0.261
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0022 0.0147 0.01
Echinococcus multilocularis tar DNA binding protein 0.0203 0.2677 0.2572
Loa Loa (eye worm) hypothetical protein 0.0162 0.2109 0.2037
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0443 0.539
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0317 0.428 0.4227
Plasmodium vivax SET domain protein, putative 0.0034 0.0313 0.4681
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0022 0.0147 0.036
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0702 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0702 0.0568
Brugia malayi RNA binding protein 0.0203 0.2677 0.2572
Echinococcus granulosus Aminotransferase class III 0.0022 0.0147 0.0006
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0141 0.0051
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0203 0.2677 0.261
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.1846 0.1729
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0549 0.0985
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0147 0.029
Loa Loa (eye worm) hypothetical protein 0.0047 0.0489 0.0401
Echinococcus granulosus snurportin 1 0.0317 0.428 0.4198
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0173 0.009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0313 0.0414
Schistosoma mansoni importin beta-1 0.003 0.0251 0.0266
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0565 1
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0393 0.6372
Schistosoma mansoni hypothetical protein 0.0148 0.1908 0.427
Schistosoma mansoni tar DNA-binding protein 0.0203 0.2677 0.6129
Echinococcus multilocularis snurportin 1 0.0317 0.428 0.4198
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0022 0.0147 0.029
Brugia malayi TAR-binding protein 0.0203 0.2677 0.2572
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0148 0.1908 0.1792
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0177 0.4515
Loa Loa (eye worm) blistered cuticle protein 3 0.0088 0.1067 0.0985
Loa Loa (eye worm) hypothetical protein 0.0024 0.0177 0.0087
Mycobacterium ulcerans hypothetical protein 0.0156 0.203 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0177 0.4515
Entamoeba histolytica hypothetical protein 0.0024 0.0173 0.4394
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0177 0.0446
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0147 0.0006
Brugia malayi hypothetical protein 0.0052 0.0565 0.0429
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0173 0.009
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0393 1
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0565 0.7554
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0393 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0177 0.0515
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0022 0.0147 0.036
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0177 0.0036
Leishmania major hypothetical protein, conserved 0.0052 0.0565 0.7554
Loa Loa (eye worm) hypothetical protein 0.0052 0.0565 0.0478
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0443 0.539
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0177 0.0036
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0177 0.0036
Loa Loa (eye worm) hypothetical protein 0.0024 0.0177 0.0087
Echinococcus granulosus importin subunit beta 1 0.003 0.0251 0.0111
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0156 0.203 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0443 0.0867
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0313 0.3055
Schistosoma mansoni survival motor neuron protein 0.0148 0.1908 0.427
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0177 0.0446
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0162 0.0021
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0177 0.0446
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0702 0.315
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0177 0.0446
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0177 0.0161
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0177 0.0641
Schistosoma mansoni tar DNA-binding protein 0.0203 0.2677 0.6129
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.1904 0.4259
Echinococcus multilocularis tumor protein p63 0.0348 0.4714 0.4638
Mycobacterium ulcerans hypothetical protein 0.0024 0.0177 0.0446
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0177 0.0641
Schistosoma mansoni tar DNA-binding protein 0.0203 0.2677 0.6129
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0177 0.0641
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0177 0.0446
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0156 0.203 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0147 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0173 0.009
Loa Loa (eye worm) acetyltransferase 0.0147 0.1904 0.183
Plasmodium falciparum importin beta, putative 0.003 0.0251 0.3388
Loa Loa (eye worm) TAR-binding protein 0.0203 0.2677 0.261
Schistosoma mansoni hypothetical protein 0.0023 0.0162 0.005
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0702 0.1354
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0147 0.0006
Onchocerca volvulus 0.0051 0.0549 0.1078
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0022 0.0147 0.036
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0313 0.0414
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0041 0.0413 0.6417
Echinococcus granulosus tar DNA binding protein 0.0203 0.2677 0.2572
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0091 0.0072
Schistosoma mansoni tar DNA-binding protein 0.0203 0.2677 0.6129
Onchocerca volvulus 0.027 0.3625 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0702 0.0568
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0702 0.315
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0313 0.0414
Plasmodium falciparum ornithine aminotransferase 0.0022 0.0147 0.1187
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0022 0.0147 0.029
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0565 1
Echinococcus granulosus tumor protein p63 0.0348 0.4714 0.4638
Brugia malayi RNA recognition motif domain containing protein 0.0203 0.2677 0.2572
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0177 0.0161
Mycobacterium ulcerans acetylornithine aminotransferase 0.0022 0.0147 0.029
Schistosoma mansoni tar DNA-binding protein 0.0203 0.2677 0.6129
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0313 0.0174
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0173 0.0737
Plasmodium vivax importin-beta 2, putative 0.003 0.0251 0.3388
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0443 0.0867
Brugia malayi Pre-SET motif family protein 0.0237 0.3165 0.3067
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.1904 0.1788
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0565 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0443 0.0306
Onchocerca volvulus 0.0162 0.2109 0.5604
Brugia malayi hypothetical protein 0.0162 0.2109 0.1996
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0147 0.0006
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0702 0.315
Leishmania major importin beta-1 subunit, putative 0.0024 0.0173 0.0557
Plasmodium vivax ornithine aminotransferase, putative 0.0022 0.0147 0.1187
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0702 0.1354
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0702 0.3199
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0313 0.0174
Trichomonas vaginalis set domain proteins, putative 0.027 0.3625 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0147 0.029
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0141 0.1069
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0177 0.0515
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0156 0.203 0.5421
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0022 0.0147 0.0006
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0295 0.0156
Onchocerca volvulus Dual oxidase homolog 0.0088 0.1067 0.2579
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0565 1
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0251 0.1962
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0313 0.0174
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0041 0.0413 0.6417
Brugia malayi Blistered cuticle protein 3 0.0088 0.1067 0.0938
Loa Loa (eye worm) hypothetical protein 0.0051 0.0549 0.0463
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.3165 0.3102
Schistosoma mansoni hypothetical protein 0.0317 0.428 1
Brugia malayi RNA, U transporter 1 0.0084 0.1019 0.089
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0313 0.0414
Loa Loa (eye worm) hypothetical protein 0.0034 0.0313 0.0224
Onchocerca volvulus 0.0148 0.1908 0.5021
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0147 0.0006
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0177 0.4515
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.1904 0.1788
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0041 0.0413 0.6417
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0702 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0565 1
Entamoeba histolytica Ran family GTPase 0.0022 0.0141 0.36
Echinococcus multilocularis importin subunit beta 1 0.003 0.0251 0.0111
Onchocerca volvulus 0.0034 0.0313 0.0392
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0022 0.0147 0.036
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0162 0.0021
Leishmania major ferric reductase, putative 0.0041 0.0413 0.4847
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0251 0.2597
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0177 0.0446
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0251 0.2597
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0565 1
Brugia malayi hypothetical protein 0.0034 0.0306 0.0167
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0147 0.0014
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0177 0.0446

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 17 um PUBCHEM_BIOASSAY: Late-stage luminescence-based cell-based dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): Purchased analogs. (Class of assay: confirmatory) [Related pubchem assays: 2752 (Primary screen (NOX1 inhibitors, synthesized analogs set 2)), 2532 (Dose response (NOX1 inhibitors, HEK/293 cells)), 2664 (Primary screen (NOX1 inhibitors, synthesized analogs)), 1792 (Primary Screen (NOX1 inhibitors)), 2556 (Counterscreen (Xanthine oxidase inhibitors)), 2538 (Dose response screen (NOX1 inhibitors)), 1796 (Summary AID (NOX1 inhibitors)), 2773 (Primary screen (NOX1 inhibitors, synthesized analogs set 3)), 2545 (Confirmation screen (NOX1 inhibitors, HEK/293 cells)), 2539 (Counterscreen (NOX2, NOX3, NOX4 inhibitors)), 2541 (Confirmation screen (NOX1 inhibitors)), 1823 (Counterscreen (luminal))] 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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