Detailed information for compound 1537949

Basic information

Technical information
  • TDR Targets ID: 1537949
  • Name: 4-[5-[5-methyl-3-(4-methylphenyl)-4H-1,2-oxaz ol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine
  • MW: 320.345 | Formula: C18H16N4O2
  • H donors: 0 H acceptors: 3 LogP: 2.32 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C1=NOC(C1)(C)c1nnc(o1)c1ccncc1
  • InChi: 1S/C18H16N4O2/c1-12-3-5-13(6-4-12)15-11-18(2,24-22-15)17-21-20-16(23-17)14-7-9-19-10-8-14/h3-10H,11H2,1-2H3
  • InChiKey: BDPBBOXWZCTXRT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[5-[5-methyl-3-(4-methylphenyl)-4H-isoxazol-5-yl]-1,3,4-oxadiazol-2-yl]pyridine

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 mixed lineage leukemia protein mll 0.0015 0.0093 0.0093
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0056 0.0056
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0185 0.2807 0.2807
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.0673 0.0673
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0018
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.002 0.017 0.017
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0835 0.0835
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.017 0.017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.017 0.017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.073 0.073
Brugia malayi nuclear hormone receptor 0.002 0.017 0.017
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0141 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.017 0.017
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0163 0.2457 0.2457
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.017 0.2037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.017 0.017
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.073 0.073
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0236 0.3623 0.3532
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0141 0.0141
Echinococcus multilocularis cpg binding protein 0.0065 0.0892 0.0892
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.017 0.017
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.017 0.017
Brugia malayi RNA binding protein 0.0062 0.0835 0.0835
Loa Loa (eye worm) hypothetical protein 0.0052 0.0686 0.0686
Schistosoma mansoni nuclear hormone receptor 0.002 0.017 0.017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.073 0.073
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0018 0.0018
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.017 0.017
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.0673 0.0673
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.017 0.017
Echinococcus multilocularis GPCR, family 2 0.0052 0.0673 0.0673
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0154 0.0154
Brugia malayi nuclear receptor RXR 0.0011 0.0018 0.0018
Schistosoma mansoni hypothetical protein 0.0452 0.7064 0.7064
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0029 0.0312 0.0312
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.017 0.017
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0636 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0018 0.0018
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.017 0.017
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0236 0.3623 0.3532
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0835 0.0835
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.017 0.2037
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.017 0.017
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.017 0.017
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.017 0.017
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0141 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.3116 0.3116
Echinococcus granulosus FTZ F1 alpha 0.002 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.002 0.017 0.017
Loa Loa (eye worm) RNA binding protein 0.0062 0.0835 0.0835
Echinococcus granulosus GPCR family 2 0.0052 0.0673 0.0673
Schistosoma mansoni cpg binding protein 0.0065 0.0892 0.0892
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.073 0.073
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0052 0.0673 0.0673
Toxoplasma gondii histone lysine methyltransferase SET1 0.0117 0.1719 0.1601
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0584 0.0584
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.073 0.073
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0154 0.0154
Onchocerca volvulus 0.0062 0.0836 1
Schistosoma mansoni ap endonuclease 0.0018 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.002 0.017 0.017
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0584 0.0584
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0141 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0312 0.0173
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0018
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.017 0.017
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0312 0.0173
Brugia malayi hypothetical protein 0.0029 0.0312 0.0312
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.002 0.017 0.017
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0584 0.0584
Echinococcus multilocularis FTZ F1 alpha 0.002 0.017 0.017
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0584 0.0584
Echinococcus multilocularis dnaJ subfamily B 0.0452 0.7064 0.7064
Schistosoma mansoni ap endonuclease 0.0018 0.0141 0.0141
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.017 0.017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.002 0.017 0.017
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0154 0.0154
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0584 0.6987
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.017 0.017
Schistosoma mansoni thyroid hormone receptor 0.002 0.017 0.017
Brugia malayi MH2 domain containing protein 0.0132 0.1954 0.1954
Brugia malayi mbt repeat family protein 0.0046 0.0584 0.0584
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0584 0.0584
Brugia malayi mbt repeat family protein 0.0046 0.0584 0.0584
Schistosoma mansoni hypothetical protein 0.0052 0.0673 0.0673
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0185 0.2807 0.2807
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0052 0.0686 0.0686
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0312 0.0173
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0236 0.3623 0.3532
Schistosoma mansoni hypothetical protein 0.0013 0.0056 0.0056
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0141 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0093 0.0093
Brugia malayi ecdysteroid receptor 0.002 0.017 0.017
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0056 0.0056
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0835 0.0835
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.0673 0.0673
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0018 0.0018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.073 0.073
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0236 0.3623 0.3532
Loa Loa (eye worm) hypothetical protein 0.0112 0.1631 0.1631
Brugia malayi hypothetical protein 0.0011 0.0018 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.017 0.017
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.017 0.017
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0835 0.0835
Loa Loa (eye worm) steroid hormone receptor 0.002 0.017 0.017
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0835 0.0835
Echinococcus multilocularis geminin 0.0205 0.3116 0.3116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.073 0.073
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0636 1 1
Leishmania major 0.0636 1 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0835 0.0835
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.017 0.017
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0312 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0636 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.017 0.017
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.017 0.017
Toxoplasma gondii fructose-bisphospatase I 0.0236 0.3623 0.3532
Loa Loa (eye worm) hypothetical protein 0.002 0.017 0.017
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0141 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.017 0.017
Schistosoma mansoni hypothetical protein 0.0052 0.0673 0.0673
Onchocerca volvulus 0.0046 0.0584 0.6987
Brugia malayi hypothetical protein 0.0011 0.0018 0.0018
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0312 0.0173
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.017 0.017
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0141 0.0141
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.017 0.017
Schistosoma mansoni coup transcription factor 0.002 0.017 0.017
Schistosoma mansoni thyroid hormone receptor 0.002 0.017 0.017
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0312 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.017 0.017
Leishmania major hypothetical protein, conserved 0.0029 0.0312 0.0173
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.017 0.017
Schistosoma mansoni hypothetical protein 0.0052 0.0673 0.0673
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0584 0.0584
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0636 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0018 0.0018
Schistosoma mansoni hypothetical protein 0.0052 0.0673 0.0673
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.017 0.017
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.017 0.017
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.0673 0.0673
Loa Loa (eye worm) CXXC zinc finger family protein 0.0062 0.0836 0.0836
Schistosoma mansoni cpg binding protein 0.0065 0.0892 0.0892
Echinococcus multilocularis histone acetyltransferase MYST2 0.0052 0.0686 0.0686
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.017 0.017
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0018 0.0018
Echinococcus granulosus histone acetyltransferase MYST2 0.0052 0.0686 0.0686
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.017 0.017
Schistosoma mansoni hypothetical protein 0.0284 0.4381 0.4381
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0052 0.0686 0.0686
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0141 0.0141
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.1954 0.1954
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0835 0.0835
Schistosoma mansoni hypothetical protein 0.0205 0.3116 0.3116
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0018 0.0018
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0131 0.1943 0.1943
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0093 0.0093
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.017 0.017
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.017 0.017
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0636 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0046 0.0584 0.0584
Schistosoma mansoni cpg binding protein 0.0062 0.0836 0.0836
Brugia malayi latrophilin 2 splice variant baaae 0.0112 0.1631 0.1631
Echinococcus granulosus cpg binding protein 0.0065 0.0892 0.0892
Brugia malayi nuclear receptor NHR-88 0.002 0.017 0.017
Echinococcus granulosus geminin 0.0205 0.3116 0.3116
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.017 0.017
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0093 0.0093
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0312 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.2457 0.2457
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0636 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0018
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.017 0.017
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0052 0.0686 0.0686
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.017 0.017
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.017 0.017
Onchocerca volvulus Bile acid receptor homolog 0.002 0.017 0.2037
Brugia malayi steroid hormone receptor 0.002 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.002 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.002 0.017 0.017
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.017 0.017
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0584 0.0584
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0163 0.2457 0.2457
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0835 0.0835
Brugia malayi hypothetical protein 0.0019 0.0147 0.0147
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.073 0.073
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.017 0.017
Echinococcus granulosus dnaJ subfamily B 0.0452 0.7064 0.7064
Brugia malayi Calcitonin receptor-like protein seb-1 0.0163 0.2457 0.2457
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.017 0.017
Brugia malayi Latrophilin receptor protein 2 0.0052 0.0673 0.0673
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0141 0.5
Brugia malayi TAR-binding protein 0.0062 0.0835 0.0835
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.1954 0.1954
Loa Loa (eye worm) MBCTL1 0.0052 0.0686 0.0686
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0636 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0835 0.0835
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0018 0.0018
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.017 0.017
Brugia malayi Steroid receptor seven-up type 2 0.002 0.017 0.017
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0584 0.0584
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0141 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0141 0.5
Toxoplasma gondii fructose-bisphospatase II 0.0636 1 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0052 0.0686 0.0686
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.0673 0.0673
Onchocerca volvulus 0.002 0.017 0.2037
Echinococcus granulosus tar DNA binding protein 0.0062 0.0835 0.0835
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.0673 0.0673
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0141 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.073 0.073
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.017 0.017
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.017 0.017
Brugia malayi CXXC zinc finger family protein 0.0062 0.0836 0.0836
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0093 0.0093
Schistosoma mansoni hypothetical protein 0.0112 0.1631 0.1631

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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