Detailed information for compound 1082183

Basic information

Technical information
  • TDR Targets ID: 1082183
  • Name: 7-(2-methoxyethoxy)-2-[2-(4-methoxypyridin-2- yl)ethyl]-1H-imidazo[4,5-b]pyridine
  • MW: 328.366 | Formula: C17H20N4O3
  • H donors: 1 H acceptors: 3 LogP: 1.76 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOc1ccnc2c1nc([nH]2)CCc1nccc(c1)OC
  • InChi: 1S/C17H20N4O3/c1-22-9-10-24-14-6-8-19-17-16(14)20-15(21-17)4-3-12-11-13(23-2)5-7-18-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,21)
  • InChiKey: CCICVMYDLWZHRU-UHFFFAOYSA-N  

Network

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Synonyms

  • 7-(2-methoxyethoxy)-2-[2-(4-methoxy-2-pyridyl)ethyl]-1H-imidazo[4,5-b]pyridine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nitric oxide synthase 2, inducible Starlite/ChEMBL References

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 NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0032 0.0717 0.052
Schistosoma mansoni hypothetical protein 0.0018 0.0363 0.0363
Brugia malayi FAD binding domain containing protein 0.0032 0.0717 0.0701
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1311 0.1041
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0396 1 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0156 0.0156
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0032 0.0717 0.052
Schistosoma mansoni hypothetical protein 0.004 0.0908 0.0908
Schistosoma mansoni thyroid hormone receptor 0.001 0.0156 0.0156
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0363 0.0346
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0156 0.0139
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0363 0.0346
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0156 0.0139
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0156 0.0139
Loa Loa (eye worm) hypothetical protein 0.0058 0.1378 0.1364
Plasmodium falciparum nitric oxide synthase, putative 0.0032 0.0717 0.052
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0156 0.0156
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0156 0.0139
Brugia malayi nuclear receptor NHR-88 0.001 0.0156 0.0139
Onchocerca volvulus 0.001 0.0156 0.2229
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0156 0.0139
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0032 0.0015
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0363 0.0346
Echinococcus multilocularis GPCR, family 2 0.0018 0.0363 0.0346
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0017 0.0017
Chlamydia trachomatis sulfite reductase 0.002 0.0402 0.5
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0396 1 1
Schistosoma mansoni nuclear receptor 0.0005 0.0017 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0156 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0156 0.0139
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0032 0.0015
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0363 0.0346
Schistosoma mansoni hypothetical protein 0.0018 0.0363 0.0363
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0156 0.0156
Schistosoma mansoni nuclear hormone receptor 0.001 0.0156 0.0156
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1378 0.1364
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1256 0.1256
Loa Loa (eye worm) hypothetical protein 0.0005 0.0032 0.0015
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0396 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0032 0.0717 0.052
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0156 0.2229
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0396 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0032 0.0717 0.0701
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1256 0.1241
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0032 0.0032
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0396 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0156 0.0139
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0012 0.0208 0.0147
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0032 0.0717 0.0701
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0079 0.0062
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0156 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0156 0.0139
Loa Loa (eye worm) hypothetical protein 0.001 0.0156 0.0139
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0121 0.0105
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1476 0.1211
Brugia malayi hypothetical protein 0.0005 0.0032 0.0015
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0032 0.0717 0.052
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0032 0.0717 0.052
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0156 0.0139
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0156 0.0139
Echinococcus granulosus methionine synthase reductase 0.002 0.0402 0.0385
Brugia malayi flavodoxin family protein 0.0032 0.0717 0.0701
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0012 0.0208 0.0147
Brugia malayi hypothetical protein 0.0005 0.0032 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0156 0.0139
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0079 0.0079
Brugia malayi ecdysteroid receptor 0.001 0.0156 0.0139
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0156 0.0139
Loa Loa (eye worm) hypothetical protein 0.001 0.0156 0.0139
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0156 0.2229
Treponema pallidum flavodoxin 0.0012 0.0208 0.5
Schistosoma mansoni cpg binding protein 0.0029 0.0641 0.0641
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1256 0.1241
Schistosoma mansoni diflavin oxidoreductase 0.0016 0.0302 0.0302
Leishmania major cytochrome P450 reductase, putative 0.0029 0.0623 0.0424
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0005 0.0032 0.0015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0156 0.0139
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0032 0.0717 0.0701
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.002 0.0402 0.0402
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0396 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0156 0.2229
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1476 0.1462
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0396 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0032 0.0717 0.052
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1256 0.1256
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0156 0.0139
Echinococcus multilocularis cpg binding protein 0.0031 0.0684 0.0668
Giardia lamblia Nitric oxide synthase, inducible 0.0029 0.0623 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0641 0.0626
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0156 0.0139
Trichomonas vaginalis sulfite reductase, putative 0.0032 0.0717 0.0659
Brugia malayi steroid hormone receptor 0.001 0.0156 0.0139
Brugia malayi FAD binding domain containing protein 0.002 0.0402 0.0385
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0156 0.0139
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0156 0.0156
Echinococcus granulosus FTZ F1 alpha 0.001 0.0156 0.0139
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0396 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.002 0.0402 0.0385
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0396 1 1
Echinococcus multilocularis methionine synthase reductase 0.002 0.0402 0.0385
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0908 0.0893
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0156 0.0156
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0363 0.0346
Loa Loa (eye worm) hypothetical protein 0.0005 0.0032 0.0015
Brugia malayi nuclear hormone receptor 0.001 0.0156 0.0139
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0029 0.0623 0.0565
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0156 0.0156
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0363 0.0346
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0032 0.0717 0.0701
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0396 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1476 1
Schistosoma mansoni hypothetical protein 0.0018 0.0363 0.0363
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0032 0.0717 0.052
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0032 0.0717 0.0701
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0017 0.0017
Schistosoma mansoni coup transcription factor 0.001 0.0156 0.0156
Schistosoma mansoni hypothetical protein 0.0018 0.0363 0.0363
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0156 0.0139
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1378 0.1364
Loa Loa (eye worm) hypothetical protein 0.0005 0.0032 0.0015
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0156 0.0139
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0012 0.0208 0.0147
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1476 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0156 0.0156
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1256 0.1241
Loa Loa (eye worm) hypothetical protein 0.001 0.0156 0.0139
Echinococcus granulosus GPCR family 2 0.0018 0.0363 0.0346
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0156 0.0139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1256 0.1241
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0124 0.0108
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0032 0.0015
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0124 0.0108
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0156 0.0139
Schistosoma mansoni cpg binding protein 0.0031 0.0684 0.0684
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0079 0.0062
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0156 0.0139
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0396 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0156 0.0139
Brugia malayi nuclear receptor RXR 0.0005 0.0032 0.0015
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0156 0.0139
Plasmodium vivax flavodoxin domain containing protein 0.0029 0.0623 0.0424
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0156 0.0139
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0156 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0156 0.0139
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0032 0.0717 0.052
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0156 0.0139
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1476 0.1476
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0156 0.0139
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0079 0.0062
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0032 0.0015
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0032 0.0032
Trypanosoma cruzi p450 reductase, putative 0.0032 0.0717 0.052
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0363 0.0346
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0156 0.0139
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1476 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0641 0.0626
Onchocerca volvulus 0.0029 0.0641 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1476 0.1476
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0156 0.0139
Schistosoma mansoni cpg binding protein 0.0031 0.0684 0.0684
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1256 0.1241
Schistosoma mansoni zinc finger protein 0.0005 0.0017 0.0017
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0032 0.0015
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0156 0.0139
Loa Loa (eye worm) hypothetical protein 0.001 0.0156 0.0139
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1476 0.1295
Loa Loa (eye worm) flavodoxin family protein 0.0012 0.0208 0.0191
Echinococcus granulosus cpg binding protein 0.0031 0.0684 0.0668
Loa Loa (eye worm) hypothetical protein 0.0005 0.0032 0.0015
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0156 0.0139
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1481 0.1481
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0012 0.0208 0.0147
Schistosoma mansoni nuclear receptor 0.0005 0.0017 0.0017
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1476 0.1462
Schistosoma mansoni NADPH flavin oxidoreductase 0.0016 0.0308 0.0308
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0032 0.0717 0.052
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0156 0.0139
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1256 0.1241
Loa Loa (eye worm) hypothetical protein 0.001 0.0156 0.0139
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1378 0.1364
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.004 0.0908 0.0893
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0396 1 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0124 0.0108
Loa Loa (eye worm) hypothetical protein 0.0018 0.0363 0.0346
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0396 1 1
Schistosoma mansoni cytochrome P450 reductase 0.0032 0.0717 0.0717
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0396 1 1
Giardia lamblia Hypothetical protein 0.0029 0.0623 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0156 0.0139
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0396 1 1
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0017 0.0017
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0156 0.0139
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0079 0.0062
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0156 0.0139
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0156 0.0139
Loa Loa (eye worm) hypothetical protein 0.0032 0.0717 0.0701
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0156 0.0139
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0396 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0156 0.0156
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0017 0.0017
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0156 0.0156
Leishmania major p450 reductase, putative 0.0032 0.0717 0.052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0156 0.0139
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0156 0.0139
Brugia malayi flavodoxin family protein 0.0012 0.0208 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0156 0.0139
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1476 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1256 0.1256
Loa Loa (eye worm) hypothetical protein 0.001 0.0156 0.0139

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.69 Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting ChEMBL. 21684157
IC50 (binding) = 3.91 Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting ChEMBL. 21684157
IC50 (binding) = 6.29 Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting ChEMBL. 21684157

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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