Detailed information for compound 339091

Basic information

Technical information
  • TDR Targets ID: 339091
  • Name: 2-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)pipe ridin-4-yl]ethoxy]-1,3-benzoxazole
  • MW: 382.456 | Formula: C21H26N4O3
  • H donors: 0 H acceptors: 3 LogP: 3.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1nc2c(o1)cc(cc2)OCCC1CCN(CC1)c1ccc(nn1)C
  • InChi: 1S/C21H26N4O3/c1-3-26-21-22-18-6-5-17(14-19(18)28-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)23-24-20/h4-7,14,16H,3,8-13H2,1-2H3
  • InChiKey: UEXLGPPESLMWLZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]-1,3-benzoxazole
  • 2-ethoxy-6-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-1,3-benzoxazole
  • 2-Ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,3-benzoxazole
  • AIDS-167057
  • AIDS167057

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
Echinococcus multilocularis Regulator of G protein signaling 20 0.002 0.0261 0.0307
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0007 0.0047 0.5
Echinococcus granulosus regulator of G protein signaling 3 0.002 0.0261 0.0307
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0007 0.0047 0.5
Mycobacterium leprae Probable two-component sensor kinase 0.0007 0.0047 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.0121 0.1942 0.2766
Echinococcus granulosus regulator of G protein signaling 7 0.002 0.0261 0.0307
Loa Loa (eye worm) hypothetical protein 0.002 0.0261 0.0215
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0052 0.0792 0.0749
Mycobacterium ulcerans two component sensor kinase MprB 0.0007 0.0047 0.5
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0606 1 1
Echinococcus multilocularis regulator of G protein signaling 3 0.002 0.0261 0.0307
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0261 0.0372
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0985 0.1403
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0872 0.0828
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0015 0.0175 0.0635
Plasmodium vivax DNA topoisomerase II, putative 0.0007 0.0047 0.5
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.002 0.0261 0.0372
Loa Loa (eye worm) PXA domain-containing protein 0.002 0.0261 0.0215
Schistosoma mansoni hypothetical protein 0.0427 0.7019 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0015 0.0175 0.0635
Trypanosoma brucei multidrug resistance protein E 0.0015 0.0175 0.0635
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0015 0.0175 0.0635
Schistosoma mansoni endoplasmin 0.0007 0.0047 0.0067
Mycobacterium tuberculosis Probable two component sensor kinase 0.0007 0.0047 0.5
Echinococcus multilocularis axis inhibition protein axin 0.002 0.0261 0.0307
Trypanosoma brucei p-glycoprotein 0.0015 0.0175 0.0635
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.002 0.0261 0.0215
Echinococcus multilocularis regulator of G protein signaling 7 0.002 0.0261 0.0307
Echinococcus multilocularis regulator of G protein signaling 7 0.002 0.0261 0.0307
Plasmodium vivax endoplasmin, putative 0.0007 0.0047 0.5
Schistosoma mansoni multidrug resistance protein 0.0015 0.0175 0.0249
Schistosoma mansoni heat shock protein 0.0007 0.0047 0.0067
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.002 0.0261 0.0215
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0261 1
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0007 0.0047 0.0263
Leishmania major ABC-thiol transporter 0.0015 0.0175 0.0635
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0015 0.0175 0.0635
Echinococcus granulosus multidrug resistance associated protein 1 0.0015 0.0175 0.0183
Schistosoma mansoni cpg binding protein 0.003 0.0426 0.0608
Entamoeba histolytica ABC transporter, putative 0.0015 0.0175 0.5977
Echinococcus multilocularis beta adrenergic receptor kinase 0.002 0.0261 0.0307
Schistosoma mansoni cpg binding protein 0.0032 0.0455 0.0648
Plasmodium falciparum heat shock protein 90 0.0007 0.0047 0.5
Giardia lamblia ABC transporter, putative 0.0015 0.0175 1
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0261 0.0372
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0261 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0007 0.0047 0.5
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0007 0.0047 0.5
Brugia malayi hypothetical protein 0.002 0.0261 0.1062
Schistosoma mansoni regulator of G protein signaling 0.002 0.0261 0.0372
Echinococcus granulosus dnaJ subfamily B 0.0427 0.7019 1
Schistosoma mansoni z-protein (S1r protein) 0.002 0.0261 0.0372
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0321 0.0275
Schistosoma mansoni regulator of G protein signaling 0.002 0.0261 0.0372
Echinococcus multilocularis regulator of G protein signaling 0.002 0.0261 0.0307
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0007 0.0047 0.5
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0007 0.0047 0.5
Echinococcus multilocularis cpg binding protein 0.0032 0.0455 0.0585
Schistosoma mansoni regulator of G protein signaling 0.002 0.0261 0.0372
Echinococcus multilocularis regulator of G protein signaling 3 0.002 0.0261 0.0307
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0052 0.0007
Echinococcus granulosus regulator of G protein signaling 7 0.002 0.0261 0.0307
Loa Loa (eye worm) hypothetical protein 0.0606 1 1
Brugia malayi A-kinase anchor protein 10, precursor 0.002 0.0261 0.1062
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0426 0.0381
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0045 0.0674 0.063
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0052 0.0007
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.002 0.0261 0.0307
Toxoplasma gondii hypothetical protein 0.0606 1 1
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0007 0.0047 0.5
Echinococcus granulosus expressed protein 0.0389 0.6399 0.9111
Loa Loa (eye worm) hypothetical protein 0.0606 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0015 0.0175 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0007 0.0047 0.5
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0007 0.0047 0.5
Entamoeba histolytica hypothetical protein 0.0015 0.0175 0.5977
Echinococcus multilocularis expressed protein 0.0389 0.6399 0.9111
Trypanosoma cruzi multidrug resistance protein E, putative 0.0015 0.0175 0.0635
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0015 0.0175 0.0635
Trichomonas vaginalis DNA topoisomerase II, putative 0.0007 0.0047 0.0263
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0128 0.206 1
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0007 0.0047 0.5
Trichomonas vaginalis heat shock protein, putative 0.0007 0.0047 0.0263
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0045 0.0674 0.3113
Schistosoma mansoni regulator of G protein signaling 0.002 0.0261 0.0372
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0007 0.0047 0.5
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0007 0.0047 0.5
Schistosoma mansoni endoplasmin 0.0007 0.0047 0.0067
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0007 0.0047 0.0263
Chlamydia trachomatis DNA gyrase subunit B 0.0007 0.0047 0.5
Brugia malayi PXA domain containing protein 0.002 0.0261 0.1062
Trichomonas vaginalis heat shock protein, putative 0.0007 0.0047 0.0263
Plasmodium vivax DNA gyrase subunit B, putative 0.0007 0.0047 0.5
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0007 0.0047 0.5
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0007 0.0047 0.5
Brugia malayi ABC transporter transmembrane region family protein 0.0015 0.0175 0.0635
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0007 0.0047 0.5
Schistosoma mansoni multidrug resistance protein 0.0015 0.0175 0.0249
Brugia malayi hypothetical protein 0.002 0.0261 0.1062
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0007 0.0047 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.0121 0.1942 0.2766
Loa Loa (eye worm) hypothetical protein 0.002 0.0261 0.0215
Echinococcus granulosus axis inhibition protein axin 0.002 0.0261 0.0307
Loa Loa (eye worm) hypothetical protein 0.0015 0.0175 0.0128
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0128 0.206 0.2887
Echinococcus granulosus cpg binding protein 0.0032 0.0455 0.0585
Loa Loa (eye worm) hypothetical protein 0.0015 0.0173 0.0126
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0007 0.0047 0.5
Trichomonas vaginalis endoplasmin, putative 0.0007 0.0047 0.0263
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0128 0.206 0.2887
Schistosoma mansoni DNA topoisomerase II 0.0007 0.0047 0.0067
Trichomonas vaginalis receptor histidine kinase, putative 0.0007 0.0047 0.0263
Giardia lamblia Multidrug resistance-associated protein 1 0.0015 0.0173 0.9844
Schistosoma mansoni multidrug resistance protein 0.0015 0.0175 0.0249
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0007 0.0047 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0015 0.0175 0.0635
Leishmania major developmentally regulated phosphoprotein-like protein 0.0128 0.206 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0015 0.0175 0.5977
Echinococcus multilocularis multidrug resistance associated protein 7 0.0015 0.0175 0.0183
Giardia lamblia MRP-like ABC transporter 0.0015 0.0175 1
Echinococcus granulosus regulator of G protein signaling 3 0.002 0.0261 0.0307
Trypanosoma cruzi hypothetical protein 0.0011 0.0118 0.035
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0007 0.0047 0.5
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.002 0.0261 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0083 0.0051
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0007 0.0047 0.5
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0045 0.0674 0.3113
Entamoeba histolytica hypothetical protein 0.002 0.0261 1
Plasmodium vivax hypothetical protein, conserved 0.0007 0.0047 0.5
Schistosoma mansoni axis inhibition protein axin 0.002 0.0261 0.0372
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.002 0.0261 0.0372
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0015 0.0175 0.0635
Schistosoma mansoni pyruvate dehydrogenase 0.0128 0.206 0.2935
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0015 0.0175 0.0635
Plasmodium falciparum endoplasmin, putative 0.0007 0.0047 0.5
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0007 0.0047 0.5
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0261 0.0372
Echinococcus granulosus beta-adrenergic receptor kinase 0.002 0.0261 0.0307
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0007 0.0047 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0052 0.0074
Onchocerca volvulus 0.003 0.0426 1
Brugia malayi multidrug resistance related protein 1 0.0015 0.0175 0.0635
Schistosoma mansoni multidrug resistance protein 0.0015 0.0175 0.0249
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.002 0.0261 0.1062
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.002 0.0261 0.0372
Trypanosoma brucei developmentally regulated phosphoprotein 0.0128 0.206 1
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0045 0.0674 0.3113
Brugia malayi PXA domain containing protein 0.002 0.0261 0.1062
Brugia malayi kinase, mitochondrial precursor 0.0128 0.206 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.002 0.0261 0.1062
Plasmodium falciparum DNA topoisomerase 2 0.0007 0.0047 0.5
Trichomonas vaginalis sensor histidine kinase, putative 0.0007 0.0047 0.0263
Loa Loa (eye worm) hypothetical protein 0.002 0.0261 0.0215
Echinococcus multilocularis axis inhibition protein axin 0.002 0.0261 0.0307
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0007 0.0047 0.5
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0007 0.0047 0.5
Leishmania major pentamidine resistance protein 1 0.0015 0.0175 0.0635
Echinococcus multilocularis multidrug resistance associated protein 4 0.0011 0.0118 0.0101
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0007 0.0047 0.5
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0261 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0261 0.0215
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0007 0.0047 0.5
Mycobacterium leprae Probable two component sensor kinase MprB 0.0007 0.0047 0.5
Plasmodium falciparum DNA gyrase subunit B 0.0007 0.0047 0.5
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0083 0.0036
Brugia malayi regulator of G-protein signaling rgs-7 0.002 0.0261 0.1062
Brugia malayi Cytochrome P450 family protein 0.0024 0.0321 0.1359
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0052 0.0007
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0007 0.0047 0.5
Leishmania major p-glycoprotein e 0.0015 0.0175 0.0635
Echinococcus multilocularis multidrug resistance associated protein 1 0.0015 0.0175 0.0183
Entamoeba histolytica hypothetical protein 0.002 0.0261 1
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0261 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0015 0.0175 0.0183
Mycobacterium ulcerans two component regulator - sensor kinase 0.0007 0.0047 0.5
Entamoeba histolytica multidrug resistance protein, putative 0.0015 0.0175 0.5977
Trichomonas vaginalis receptor histidine kinase, putative 0.0007 0.0047 0.0263
Echinococcus granulosus multidrug resistance associated protein 4 0.0011 0.0118 0.0101
Loa Loa (eye worm) RGS-3 protein 0.002 0.0261 0.0215
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0261 1
Mycobacterium tuberculosis Conserved protein 0.0007 0.0047 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0015 0.0175 1
Schistosoma mansoni regulator of G protein signaling 0.002 0.0261 0.0372
Loa Loa (eye worm) hypothetical protein 0.0015 0.0175 0.0128
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0128 0.206 0.2887
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0007 0.0047 0.5
Schistosoma mansoni cpg binding protein 0.0032 0.0455 0.0648
Mycobacterium tuberculosis Possible two component sensor kinase 0.0007 0.0047 0.5
Chlamydia trachomatis DNA gyrase subunit B 0.0007 0.0047 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0015 0.0175 0.5977
Plasmodium vivax heat shock protein 86, putative 0.0007 0.0047 0.5
Schistosoma mansoni axis inhibition protein axin 0.002 0.0261 0.0372
Echinococcus multilocularis dnaJ subfamily B 0.0427 0.7019 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.206 0.2023
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0007 0.0047 0.0263
Brugia malayi Regulator of G protein signaling domain containing protein 0.002 0.0261 0.1062
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.002 0.0261 0.0307
Schistosoma mansoni heat shock protein 0.0007 0.0047 0.0067
Loa Loa (eye worm) multidrug resistance-associated protein 0.0011 0.012 0.0073
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0015 0.0175 0.0128
Entamoeba histolytica ATP-binding cassette protein, putative 0.0015 0.0175 0.5977
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0081 0.0166
Brugia malayi CXXC zinc finger family protein 0.003 0.0426 0.1884
Loa Loa (eye worm) hypothetical protein 0.002 0.0261 0.0215
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0052 0.0007
Mycobacterium ulcerans putative regultory protein 0.0007 0.0047 0.5
Entamoeba histolytica hypothetical protein 0.002 0.0261 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.002 0.0261 0.0215
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0007 0.0047 0.0263
Echinococcus granulosus Regulator of G protein signaling 20 0.002 0.0261 0.0307
Echinococcus granulosus axis inhibition protein axin 0.002 0.0261 0.0307
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0261 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0007 0.0047 0.0263
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0015 0.0175 0.0128
Brugia malayi regulator of G-protein signaling egl-10 0.002 0.0261 0.1062
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0007 0.0047 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0083 0.0051
Entamoeba histolytica ATP-binding cassette protein, putative 0.0015 0.0175 0.5977
Loa Loa (eye worm) hypothetical protein 0.002 0.0261 0.0215

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.023 ug ml-1 Effective concentration against HRV-16 ChEMBL. 15808466
EC50 (functional) = 0.045 ug ml-1 Effective concentration against HRV-2 ChEMBL. 15808466

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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