Detailed information for compound 1028616

Basic information

Technical information
  • TDR Targets ID: 1028616
  • Name: 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-( 1H-pyrazol-4-yl)pyridin-2-amine
  • MW: 367.205 | Formula: C16H13Cl2FN4O
  • H donors: 2 H acceptors: 2 LogP: 3.65 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncc(cc1OC(c1c(Cl)ccc(c1Cl)F)C)c1cn[nH]c1
  • InChi: 1S/C16H13Cl2FN4O/c1-8(14-11(17)2-3-12(19)15(14)18)24-13-4-9(5-21-16(13)20)10-6-22-23-7-10/h2-8H,1H3,(H2,20,21)(H,22,23)
  • InChiKey: VTOQQRYPFKINSB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine
  • 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)-2-pyridinamine
  • [3-[1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-5-(1H-pyrazol-4-yl)-2-pyridyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens MET proto-oncogene, receptor tyrosine kinase 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
Onchocerca volvulus GPI ethanolamine phosphate transferase 2 homolog 0.0021 0.0272 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0775 0.0839
Echinococcus granulosus smad 0.0016 0.0154 0.0014
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0189 0.0139
Schistosoma mansoni hypothetical protein 0.0021 0.0272 0.0238
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.1404 0.8806
Schistosoma mansoni plexin 0.0021 0.0262 0.0226
Brugia malayi Smad1 0.0016 0.0154 0.025
Schistosoma mansoni hypothetical protein 0.0021 0.0272 0.0238
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0253 0.0411
Trypanosoma brucei endonuclease G, putative 0.0081 0.1576 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0136 0.275 0.3142
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0775 0.0762
Loa Loa (eye worm) Smad1 0.0016 0.0154 0.025
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0136 0.275 0.3142
Echinococcus granulosus geminin 0.0165 0.3386 0.3908
Loa Loa (eye worm) hypothetical protein 0.007 0.1329 0.2158
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.1127 0.1186
Schistosoma mansoni cpg binding protein 0.0031 0.0491 0.05
Brugia malayi beta-lactamase family protein 0.0074 0.1404 0.2281
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0154 0.0014
Loa Loa (eye worm) hypothetical protein 0.0021 0.0272 0.0442
Brugia malayi MH2 domain containing protein 0.0233 0.4866 0.7903
Onchocerca volvulus 0.0074 0.1404 0.1938
Toxoplasma gondii ABC1 family protein 0.0074 0.1404 0.6974
Trichomonas vaginalis esterase, putative 0.0074 0.1404 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0775 0.0839
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.1404 0.1521
Loa Loa (eye worm) hypothetical protein 0.0018 0.0189 0.0307
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0021 0.0272 0.5
Schistosoma mansoni cpg binding protein 0.0031 0.0491 0.05
Schistosoma mansoni hypothetical protein 0.0165 0.3386 0.3958
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0021 0.0272 0.5
Echinococcus granulosus ectonucleotide 0.0114 0.2288 0.2585
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.1404 0.2281
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0775 0.1258
Schistosoma mansoni smad1 5 8 and 0.0016 0.0154 0.0097
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0189 0.0056
Loa Loa (eye worm) hypothetical protein 0.0049 0.0879 0.1427
Loa Loa (eye worm) MH2 domain-containing protein 0.0233 0.4866 0.7903
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0416 0.0675
Leishmania major ethanolamine phosphotransferase, putative 0.0021 0.0272 0.0931
Loa Loa (eye worm) hypothetical protein 0.0038 0.0634 0.1029
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0021 0.0272 0.0442
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0775 0.0762
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0114 0.2288 0.2585
Schistosoma mansoni zinc finger protein 0.0021 0.0265 0.0229
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0529 0.0859
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.1404 0.1591
Echinococcus multilocularis smad 0.0016 0.0154 0.0014
Trypanosoma brucei endonuclease G, putative 0.0081 0.1576 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0136 0.275 0.3142
Onchocerca volvulus GPI ethanolamine phosphate transferase 3 homolog 0.0021 0.0272 0.0017
Echinococcus granulosus zinc finger protein 0.0021 0.0265 0.0147
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1404 0.8806
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0176 0.004
Loa Loa (eye worm) hypothetical protein 0.0074 0.1404 0.2281
Loa Loa (eye worm) hypothetical protein 0.0114 0.2288 0.3715
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0328 0.0305
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.1404 0.2281
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0862 0.1399
Loa Loa (eye worm) hypothetical protein 0.0021 0.0272 0.0442
Schistosoma mansoni hypothetical protein 0.0021 0.0272 0.0238
Onchocerca volvulus 0.0074 0.1404 0.1938
Brugia malayi MH2 domain containing protein 0.0016 0.0154 0.025
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.1127 0.1186
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0136 0.275 0.3142
Schistosoma mansoni hypothetical protein 0.0293 0.6158 0.727
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1095 0.1221
Echinococcus multilocularis Smad4 0.0016 0.0154 0.0014
Loa Loa (eye worm) hypothetical protein 0.0012 0.0073 0.0118
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0021 0.0272 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0142 0.0083
Echinococcus granulosus Endonuclease G 0.0081 0.1576 0.1727
Echinococcus multilocularis transferase 0.0021 0.0272 0.0156
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0142 0.0231
Schistosoma mansoni hypothetical protein 0.0015 0.0138 0.0078
Mycobacterium ulcerans lipase LipD 0.0074 0.1404 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0136 0.275 0.3142
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 6 homolog 0.0021 0.0272 0.0017
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0862 0.1399
Echinococcus granulosus plexin a4 0.0025 0.0345 0.0244
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0081 0.1576 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0154 0.0014
Brugia malayi endonuclease G, mitochondrial precursor 0.0081 0.1576 0.256
Loa Loa (eye worm) beta-lactamase 0.0074 0.1404 0.2281
Schistosoma mansoni smad 0.0016 0.0154 0.0097
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 7 homolog 0.0021 0.0272 0.0017
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0081 0.1576 1
Echinococcus multilocularis zinc finger protein 0.0021 0.0265 0.0147
Mycobacterium ulcerans beta-lactamase 0.0074 0.1404 1
Schistosoma mansoni hypothetical protein 0.0165 0.3386 0.3958
Loa Loa (eye worm) plexin A 0.0025 0.0345 0.056
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0775 0.0762
Trypanosoma cruzi endonuclease G, putative 0.0081 0.1576 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0775 0.0762
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0176 0.0123
Loa Loa (eye worm) hypothetical protein 0.0136 0.275 0.4466
Brugia malayi MH2 domain containing protein 0.0016 0.0154 0.025
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0021 0.0272 0.0156
Brugia malayi beta-lactamase 0.0074 0.1404 0.2281
Brugia malayi hypothetical protein 0.0021 0.0272 0.0442
Loa Loa (eye worm) hypothetical protein 0.0021 0.0272 0.0442
Onchocerca volvulus 0.0136 0.275 0.4221
Mycobacterium ulcerans hypothetical protein 0.0074 0.1404 1
Echinococcus granulosus cpg binding protein 0.0031 0.0491 0.042
Echinococcus multilocularis plexin a4 0.0025 0.0345 0.0244
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0142 0.0231
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0189 0.0139
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0862 0.1399
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0328 0.0224
Loa Loa (eye worm) hypothetical protein 0.0074 0.1404 0.2281
Schistosoma mansoni zinc finger protein 0.0015 0.0138 0.0078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0775 0.0839
Loa Loa (eye worm) hypothetical protein 0.0136 0.275 0.4466
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0775 0.1258
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0021 0.0272 0.0156
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.1404 1
Trypanosoma brucei endonuclease G, putative 0.0081 0.1576 1
Schistosoma mansoni bromodomain containing protein 0.0064 0.1204 0.1351
Schistosoma mansoni smad1 5 8 and 0.0016 0.0154 0.0097
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0189 0.0307
Loa Loa (eye worm) hypothetical protein 0.0074 0.1404 0.2281
Schistosoma mansoni hypothetical protein 0.0015 0.0142 0.0083
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.1404 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.1404 0.1521
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0021 0.0272 0.0442
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0582 0.0529
Brugia malayi CXXC zinc finger family protein 0.0028 0.0416 0.0675
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0036 0.0058
Schistosoma mansoni Smad4 0.0016 0.0154 0.0097
Loa Loa (eye worm) hypothetical protein 0.0049 0.0862 0.1399
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0582 0.0529
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0136 0.275 0.3142
Echinococcus multilocularis cpg binding protein 0.0031 0.0491 0.042
Brugia malayi PHD-finger family protein 0.0026 0.0379 0.0616
Brugia malayi Thrombospondin type 1 domain containing protein 0.0293 0.6158 1
Brugia malayi hypothetical protein 0.0021 0.0272 0.0442
Schistosoma mansoni hypothetical protein 0.0021 0.0272 0.0238
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0328 0.0224
Loa Loa (eye worm) hypothetical protein 0.0033 0.0529 0.0859
Loa Loa (eye worm) hypothetical protein 0.0074 0.1404 0.2281
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0154 0.0014
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.1404 1
Brugia malayi beta-lactamase family protein 0.0074 0.1404 0.2281
Brugia malayi Bromodomain containing protein 0.0076 0.1455 0.2364
Mycobacterium leprae Probable lipase LipE 0.0074 0.1404 1
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1404 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0136 0.275 0.3142
Leishmania major endonuclease G, putative 0.0081 0.1576 1
Schistosoma mansoni hypothetical protein 0.0015 0.0142 0.0083
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0136 0.275 0.3142
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0021 0.0272 0.0156
Loa Loa (eye worm) hypothetical protein 0.0021 0.0262 0.0425
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0081 0.1576 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1404 0.2281
Schistosoma mansoni hypothetical protein 0.0398 0.8443 1
Brugia malayi Plexin repeat family protein 0.0021 0.0262 0.0425
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.1404 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0142 0.0083
Echinococcus multilocularis ectonucleotide 0.0114 0.2288 0.2585
Onchocerca volvulus GPI ethanolamine phosphate transferase 1 homolog 0.0021 0.0272 0.0017
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0114 0.2288 0.2585
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0136 0.275 0.3199
Echinococcus granulosus Smad4 0.0016 0.0154 0.0014
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0136 0.275 0.3142
Onchocerca volvulus 0.0136 0.275 0.4221
Brugia malayi AEL166Cp 0.0021 0.0272 0.0442
Onchocerca volvulus 0.0074 0.1404 0.1938
Onchocerca volvulus 0.0028 0.0416 0.0261
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0081 0.1576 1
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1404 0.8806
Brugia malayi MH1 domain containing protein 0.0016 0.0154 0.025
Brugia malayi plexin A 0.0025 0.0345 0.056
Loa Loa (eye worm) transcription factor SMAD2 0.0233 0.4866 0.7903
Loa Loa (eye worm) hypothetical protein 0.0136 0.275 0.4466
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0136 0.275 0.3199
Echinococcus granulosus transferase 0.0021 0.0272 0.0156
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0021 0.0272 0.0156
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0021 0.0272 0.0156
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0154 0.0014
Schistosoma mansoni endonuclease related 0.0081 0.1576 0.1796
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0176 0.004
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0136 0.275 0.3142
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.1404 0.1591
Schistosoma mansoni smad1 5 8 and 0.0016 0.0154 0.0097
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0176 0.0123
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0154 0.0097
Brugia malayi MH1 domain containing protein 0.0016 0.0154 0.025
Schistosoma mansoni hypothetical protein 0.0033 0.0529 0.0545
Loa Loa (eye worm) hypothetical protein 0.004 0.0685 0.1112
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0021 0.0272 0.0238
Schistosoma mansoni hypothetical protein 0.002 0.0253 0.0215
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0142 0.0231
Echinococcus multilocularis dnaJ subfamily B 0.0398 0.8443 1
Onchocerca volvulus 0.0293 0.6158 1
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1404 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0154 0.025
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0021 0.0272 0.0156
Echinococcus multilocularis tumor protein p63 0.0337 0.7116 0.8401
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0154 0.025
Loa Loa (eye worm) hypothetical protein 0.0044 0.076 0.1235
Trypanosoma brucei GPI ethanolamine phosphate transferase 3, putative 0.0021 0.0272 0.0931
Schistosoma mansoni cpg binding protein 0.0028 0.0416 0.041
Brugia malayi Bromodomain containing protein 0.0038 0.0632 0.1027
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0293 0.6158 1
Onchocerca volvulus 0.0049 0.0879 0.1046
Echinococcus multilocularis geminin 0.0165 0.3386 0.3908
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0021 0.0272 0.0156
Loa Loa (eye worm) hypothetical protein 0.0015 0.0142 0.0231
Echinococcus granulosus tumor protein p63 0.0337 0.7116 0.8401
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0136 0.275 0.3199
Trypanosoma cruzi endonuclease G, putative 0.0081 0.1576 1
Mycobacterium leprae conserved hypothetical protein 0.0074 0.1404 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0189 0.0056
Leishmania major hypothetical protein, conserved 0.0074 0.1404 0.8806
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0879 0.0963
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1404 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0272 0.0442
Loa Loa (eye worm) hypothetical protein 0.0074 0.1404 0.2281
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0021 0.0272 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0136 0.275 0.3142
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0136 0.275 0.4466
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0136 0.275 0.3199
Plasmodium vivax hypothetical protein, conserved 0.0074 0.1404 0.5
Echinococcus granulosus dnaJ subfamily B 0.0398 0.8443 1
Echinococcus multilocularis Endonuclease G 0.0081 0.1576 0.1727

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0624 uM Inhibition of human recombinant c-MET kinase expressed in A549 cells assessed as inhibition of HGF-induced autophosphorylation by ELISA method ChEMBL. 21812414
Ki (binding) = 0.0815 uM Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay ChEMBL. 21812414

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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