Detailed information for compound 1080043

Basic information

Technical information
  • TDR Targets ID: 1080043
  • Name: (2S)-1-[5-(6-fluoro-3-methyl-2H-indazol-5-yl) -6-furan-3-ylpyridin-3-yl]oxy-3-phenylpropan- 2-amine
  • MW: 442.485 | Formula: C26H23FN4O2
  • H donors: 2 H acceptors: 2 LogP: 4.39 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@@H](Cc1ccccc1)COc1cnc(c(c1)c1cc2c(C)n[nH]c2cc1F)c1ccoc1
  • InChi: 1S/C26H23FN4O2/c1-16-21-11-22(24(27)12-25(21)31-30-16)23-10-20(13-29-26(23)18-7-8-32-14-18)33-15-19(28)9-17-5-3-2-4-6-17/h2-8,10-14,19H,9,15,28H2,1H3,(H,30,31)/t19-/m0/s1
  • InChiKey: QRZGFWYMIXKLLF-IBGZPJMESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3-furyl)-3-pyridyl]oxy]-3-phenyl-propan-2-amine
  • (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3-furyl)-3-pyridyl]oxy]-3-phenylpropan-2-amine
  • [(1S)-1-(benzyl)-2-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3-furyl)-3-pyridyl]oxy]ethyl]amine
  • (2S)-1-[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-furan-3-yl-pyridin-3-yl]oxy-3-phenyl-propan-2-amine

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
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.0727 0.1403
Brugia malayi MH2 domain containing protein 0.0012 0.0085 0.0168
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0046 0.0061
Schistosoma mansoni bromodomain containing protein 0.0005 0.0015 0.0014
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0046 0.0061
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.0535 0.1017
Schistosoma mansoni smad1 5 8 and 0.0026 0.0245 0.0463
Loa Loa (eye worm) acetyltransferase 0.0141 0.152 0.3592
Echinococcus granulosus mothers against decapentaplegic 2 0.0012 0.0085 0.0138
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0416 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0156 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0245 0.055
Brugia malayi TAR-binding protein 0.0262 0.2858 0.6785
Echinococcus multilocularis smad 0.0026 0.0245 0.0231
Loa Loa (eye worm) Smad1 0.0026 0.0245 0.055
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0156 0.0141
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0245 0.055
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0245 0.0231
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0416 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0012 0.0085 0.0168
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0046 0.0031
Echinococcus granulosus cpg binding protein 0.0035 0.034 0.0635
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0377 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0085 0.0168
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0156 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0156 0.3713
Loa Loa (eye worm) hypothetical protein 0.0052 0.0535 0.1242
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.0917
Brugia malayi latrophilin 2 splice variant baaae 0.0113 0.1208 0.2847
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0156 0.0141
Schistosoma mansoni tar DNA-binding protein 0.0262 0.2858 0.5563
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0156 0.0141
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.0917
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0377 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.0917
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0046 0.0031
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.0917
Schistosoma mansoni smad1 5 8 and 0.0026 0.0245 0.0463
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.0535 0.1242
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0038 0.0917
Echinococcus multilocularis geminin 0.037 0.405 0.4041
Schistosoma mansoni hypothetical protein 0.037 0.405 0.789
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0156 0.0141
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0165 0.1787 0.423
Brugia malayi MH1 domain containing protein 0.0026 0.0245 0.055
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0067 0.0124
Trichomonas vaginalis helicase, putative 0.0007 0.0038 0.0917
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.152 0.2952
Echinococcus granulosus Smad4 0.0026 0.0245 0.045
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.0917
Brugia malayi MH1 domain containing protein 0.0026 0.0245 0.055
Schistosoma mansoni bromodomain containing protein 0.0005 0.0015 0.0014
Echinococcus multilocularis mothers against decapentaplegic 6 0.0012 0.0085 0.007
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0156 0.0288
Schistosoma mansoni hypothetical protein 0.0052 0.0535 0.1029
Loa Loa (eye worm) histone methyltransferase 0.001 0.0068 0.0127
Schistosoma mansoni hypothetical protein 0.0113 0.1208 0.2342
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.0917
Echinococcus granulosus mothers against decapentaplegic 6 0.0012 0.0085 0.0138
Brugia malayi MH1 domain containing protein 0.0014 0.0116 0.0241
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0245 0.045
Schistosoma mansoni zinc finger protein 0.0005 0.0015 0.0014
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0156 0.5
Brugia malayi MH1 domain containing protein 0.0014 0.0116 0.0241
Schistosoma mansoni smad 0.0026 0.0245 0.0463
Schistosoma mansoni hypothetical protein 0.0052 0.0535 0.1029
Brugia malayi RNA recognition motif domain containing protein 0.0262 0.2858 0.6785
Schistosoma mansoni hypothetical protein 0.0467 0.5131 1
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.152 0.3592
Brugia malayi Smad1 0.0026 0.0245 0.055
Loa Loa (eye worm) hypothetical protein 0.0113 0.1208 0.2847
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0416 0.4938
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0156 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.034 0.0648
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0038 0.0917
Loa Loa (eye worm) nuclear factor I 0.0014 0.0116 0.0241
Loa Loa (eye worm) TAR-binding protein 0.0262 0.2858 0.6785
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0245 0.0463
Onchocerca volvulus 0.0033 0.0319 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.0917
Schistosoma mansoni hypothetical protein 0.0052 0.0535 0.1029
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.0917
Brugia malayi RNA binding protein 0.0262 0.2858 0.6785
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.0917
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.0535 0.0521
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0156 0.0141
Loa Loa (eye worm) transcription factor SMAD2 0.0384 0.4205 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0416 0.0784
Echinococcus granulosus dnaJ subfamily B 0.0467 0.5131 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0012 0.0085 0.0168
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.0917
Schistosoma mansoni tar DNA-binding protein 0.0262 0.2858 0.5563
Brugia malayi CXXC zinc finger family protein 0.0033 0.0319 0.0726
Echinococcus multilocularis Smad4 0.0026 0.0245 0.0231
Echinococcus granulosus geminin 0.037 0.405 0.7887
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0245 0.0231
Schistosoma mansoni Smad4 0.0026 0.0245 0.0463
Loa Loa (eye worm) hypothetical protein 0.0014 0.0116 0.0241
Schistosoma mansoni tar DNA-binding protein 0.0262 0.2858 0.5563
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0245 0.045
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.0917
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0156 0.0336
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.0917
Loa Loa (eye worm) hypothetical protein 0.0165 0.1787 0.423
Schistosoma mansoni smad 0.0012 0.0085 0.0151
Echinococcus multilocularis mothers against decapentaplegic 2 0.0012 0.0085 0.007
Brugia malayi isocitrate dehydrogenase 0.0018 0.0156 0.0336
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.0535 0.1017
Echinococcus granulosus smad 0.0026 0.0245 0.045
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.0535 0.1242
Schistosoma mansoni tar DNA-binding protein 0.0262 0.2858 0.5563
Brugia malayi Latrophilin receptor protein 2 0.0052 0.0535 0.1242
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0068 0.0104
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0068 0.0053
Schistosoma mansoni cpg binding protein 0.0035 0.034 0.0648
Schistosoma mansoni hypothetical protein 0.0052 0.0535 0.1029
Schistosoma mansoni Smad4 0.0012 0.0085 0.0151
Loa Loa (eye worm) RNA binding protein 0.0262 0.2858 0.6785
Echinococcus multilocularis tar DNA binding protein 0.0262 0.2858 0.2847
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0165 0.1787 0.423
Echinococcus multilocularis dnaJ subfamily B 0.0467 0.5131 0.5123
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0262 0.2858 0.6785
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0319 0.0726
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0156 0.5
Schistosoma mansoni cpg binding protein 0.0033 0.0319 0.0608
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.0917
Echinococcus multilocularis cpg binding protein 0.0035 0.034 0.0325
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.0535 0.0521
Schistosoma mansoni hypothetical protein 0.037 0.405 0.789
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0416 0.4938
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0156 0.0275
Echinococcus granulosus tar DNA binding protein 0.0262 0.2858 0.5557
Schistosoma mansoni Smad4 0.0012 0.0085 0.0151
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.152 0.1507
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0156 0.5
Brugia malayi MH2 domain containing protein 0.0026 0.0245 0.055
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0683 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0384 0.4205 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0165 0.1787 0.423
Brugia malayi MH2 domain containing protein 0.0026 0.0245 0.055
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0156 0.0336
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0416 1
Echinococcus multilocularis GPCR, family 2 0.0052 0.0535 0.0521
Schistosoma mansoni tar DNA-binding protein 0.0262 0.2858 0.5563
Echinococcus granulosus GPCR family 2 0.0052 0.0535 0.1017
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0046 0.0074
Loa Loa (eye worm) MH2 domain-containing protein 0.0012 0.0085 0.0168
Schistosoma mansoni smad1 5 8 and 0.0026 0.0245 0.0463
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.1476 0.2856
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0377 0.5
Brugia malayi MH2 domain containing protein 0.0384 0.4205 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.0917
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.0917

Activities

No activities found for this compound.

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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