Detailed information for compound 1427210

Basic information

Technical information
  • TDR Targets ID: 1427210
  • Name: 3-[1-[[3-(6-methoxynaphthalen-2-yl)-2H-pyrazo l-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5 -oxadiazole
  • MW: 389.45 | Formula: C22H23N5O2
  • H donors: 1 H acceptors: 3 LogP: 3.22 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)ccc(c2)c1[nH]ncc1CN1CCCC1c1nonc1C
  • InChi: 1S/C22H23N5O2/c1-14-21(26-29-25-14)20-4-3-9-27(20)13-18-12-23-24-22(18)17-6-5-16-11-19(28-2)8-7-15(16)10-17/h5-8,10-12,20H,3-4,9,13H2,1-2H3,(H,23,24)
  • InChiKey: LBVFWJILNBYIOO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[1-[[3-(6-methoxy-2-naphthyl)-2H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
  • 3-[1-[[3-(6-methoxy-2-naphthyl)-2H-pyrazol-4-yl]methyl]-2-pyrrolidinyl]-4-methyl-1,2,5-oxadiazole
  • 3-[1-[[3-(6-methoxy-2-naphthyl)-2H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-furazan
  • SMR000316526
  • 3-(1-{[3-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-4-methyl-1,2,5-oxadiazole
  • MLS000734896

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens CDC-like kinase 1 Starlite/ChEMBL No references
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K08823 CDC-like kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 10 Get druggable targets OG5_126990 All targets in OG5_126990
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Cryptosporidium parvum serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium vivax serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Theileria parva serine/threonine protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum Serine/threonine-protein kinase Doa, putative Get druggable targets OG5_126990 All targets in OG5_126990
Giardia lamblia Kinase, CMGC CLK Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium berghei serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium knowlesi serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Neospora caninum hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana Get druggable targets OG5_126990 All targets in OG5_126990
Babesia bovis protein serine/threonine kinase 1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium yoelii protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma congolense kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium hominis serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium falciparum protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei kinetoplastid kinetochore protein 19 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/CLK protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0086 0.0086
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0105 0.0252
Echinococcus granulosus nibrin 0.001 0.0105 0.0105
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2552 0.2552
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0129 0.0129
Echinococcus multilocularis muscleblind protein 1 0.018 0.3595 0.3595
Brugia malayi Latrophilin receptor protein 2 0.008 0.1541 0.3043
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0111 0.0219
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0108 0.2123 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0074 0.1413 0.6483
Brugia malayi DKFZp564C0469 protein 0.001 0.0105 0.0207
Trichomonas vaginalis CMGC family protein kinase 0.0074 0.1413 1
Schistosoma mansoni cpg binding protein 0.0037 0.0659 0.0659
Brugia malayi Protein kinase domain containing protein 0.0108 0.2123 0.4192
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0074 0.1413 0.6483
Brugia malayi MH1 domain containing protein 0.001 0.0111 0.0219
Onchocerca volvulus 0.0035 0.0619 1
Echinococcus multilocularis muscleblind protein 0.018 0.3595 0.3595
Loa Loa (eye worm) hypothetical protein 0.0107 0.21 0.4147
Brugia malayi Calcitonin receptor-like protein seb-1 0.0252 0.5065 1
Plasmodium vivax serine/threonine kinase-1, putative 0.0074 0.1413 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0105 0.0252
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0105 0.0252
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.2123 1
Entamoeba histolytica hypothetical protein 0.0108 0.2123 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0207
Schistosoma mansoni cpg binding protein 0.0037 0.0659 0.0659
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0105 0.0207
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0105 0.0252
Schistosoma mansoni hypothetical protein 0.008 0.1541 0.1541
Schistosoma mansoni hypothetical protein 0.008 0.1541 0.1541
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0105 0.5
Schistosoma mansoni topbp1 0.001 0.0105 0.0105
Giardia lamblia Kinase, CMGC CLK 0.0074 0.1413 1
Brugia malayi hypothetical protein 0.001 0.0105 0.0207
Loa Loa (eye worm) Smad1 0.001 0.0111 0.0219
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0111 0.0111
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0111 0.0111
Brugia malayi CXXC zinc finger family protein 0.0035 0.0619 0.1222
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1413 0.1413
Schistosoma mansoni smad1 5 8 and 0.001 0.0111 0.0111
Echinococcus multilocularis GPCR, family 2 0.008 0.1541 0.1541
Schistosoma mansoni smad1 5 8 and 0.001 0.0111 0.0111
Echinococcus granulosus dual specificity protein kinase clk2 0.0074 0.1413 0.1413
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0207
Brugia malayi latrophilin 2 splice variant baaae 0.0172 0.3434 0.678
Brugia malayi MH2 domain containing protein 0.0144 0.2855 0.5637
Loa Loa (eye worm) hypothetical protein 0.0072 0.1391 0.2745
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0129 0.0129
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.008 0.1541 0.1541
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2552 0.2552
Brugia malayi Muscleblind-like protein 0.018 0.3595 0.7098
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.008 0.1541 0.3043
Schistosoma mansoni hypothetical protein 0.0494 1 1
Brugia malayi MH1 domain containing protein 0.0005 0.0021 0.0042
Schistosoma mansoni hypothetical protein 0.008 0.1541 0.1541
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0619 0.1222
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0111 0.0219
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0207
Echinococcus granulosus tar DNA binding protein 0.0129 0.2552 0.2552
Brugia malayi MH2 domain containing protein 0.001 0.0111 0.0219
Echinococcus granulosus cpg binding protein 0.0037 0.0659 0.0659
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0086 0.0086
Schistosoma mansoni hypothetical protein 0.0172 0.3434 0.3434
Echinococcus granulosus replication factor c subunit 1 0.001 0.0105 0.0105
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.1413 0.1413
Echinococcus granulosus dual specificity 0.0108 0.2123 0.2123
Schistosoma mansoni hypothetical protein 0.008 0.1541 0.1541
Echinococcus multilocularis dual specificity protein kinase clk2 0.0074 0.1413 0.1413
Loa Loa (eye worm) hypothetical protein 0.018 0.3595 0.7098
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.2552 0.5038
Loa Loa (eye worm) TAR-binding protein 0.0129 0.2552 0.5038
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0086 0.0086
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.008 0.1541 0.1541
Loa Loa (eye worm) hypothetical protein 0.0107 0.21 0.4147
Echinococcus multilocularis Smad4 0.001 0.0111 0.0111
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0111 0.0111
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0207
Treponema pallidum DNA ligase (lig) 0.001 0.0105 0.5
Echinococcus granulosus smad 0.001 0.0111 0.0111
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0111 0.0111
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0074 0.1413 0.6483
Plasmodium falciparum protein serine/threonine kinase-1 0.0074 0.1413 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0074 0.1413 0.6483
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0074 0.1413 0.279
Schistosoma mansoni cpg binding protein 0.0035 0.0619 0.0619
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2552 0.2552
Brugia malayi MH2 domain containing protein 0.001 0.0111 0.0219
Echinococcus multilocularis smad 0.001 0.0111 0.0111
Entamoeba histolytica protein kinase, putative 0.0108 0.2123 1
Schistosoma mansoni DNA ligase IV 0.001 0.0105 0.0105
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0105 0.0105
Echinococcus granulosus Smad4 0.001 0.0111 0.0111
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.008 0.1541 0.1541
Brugia malayi Smad1 0.001 0.0111 0.0219
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0105 0.0252
Schistosoma mansoni Smad4 0.001 0.0111 0.0111
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Brugia malayi MH1 domain containing protein 0.001 0.0111 0.0219
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.2123 0.2123
Brugia malayi RNA binding protein 0.0129 0.2552 0.5038
Schistosoma mansoni smad 0.001 0.0111 0.0111
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2552 0.2552
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0086 0.0086
Echinococcus multilocularis dual specificity 0.0108 0.2123 0.2123
Echinococcus multilocularis nibrin 0.001 0.0105 0.0105
Onchocerca volvulus 0.001 0.0105 0.1691
Loa Loa (eye worm) RNA binding protein 0.0129 0.2552 0.5038
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0207
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0127 0.025
Brugia malayi hypothetical protein 0.001 0.0105 0.0207
Schistosoma mansoni topbp1 0.001 0.0105 0.0105
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0012 0.0012
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.2123 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.2552 0.5038
Brugia malayi TAR-binding protein 0.0129 0.2552 0.5038
Brugia malayi MH1 domain containing protein 0.0005 0.0021 0.0042
Echinococcus multilocularis tar DNA binding protein 0.0129 0.2552 0.2552
Echinococcus granulosus muscleblind protein 0.018 0.3595 0.3595
Loa Loa (eye worm) nuclear factor I 0.0005 0.0021 0.0042
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0105 0.0207
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0074 0.1413 0.6483
Chlamydia trachomatis DNA ligase 0.001 0.0105 0.5
Loa Loa (eye worm) hypothetical protein 0.0172 0.3434 0.678
Echinococcus granulosus GPCR family 2 0.008 0.1541 0.1541
Loa Loa (eye worm) latrophilin receptor protein 2 0.008 0.1541 0.3043
Echinococcus multilocularis cpg binding protein 0.0037 0.0659 0.0659
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.1413 0.1413
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0252 0.5065 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0105 0.0252
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.2123 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2855 0.5637
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0129 0.0256
Brugia malayi topoisomerase 0.001 0.0105 0.0207
Loa Loa (eye worm) hypothetical protein 0.008 0.1541 0.3043
Brugia malayi Protein kinase domain containing protein 0.0074 0.1413 0.279
Loa Loa (eye worm) hypothetical protein 0.0252 0.5065 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0111 0.0111
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0086 0.0086
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0074 0.1413 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0.0105 0.5
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.2123 0.4192
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0252 0.5065 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2855 0.5637
Loa Loa (eye worm) hypothetical protein 0.0005 0.0021 0.0042
Entamoeba histolytica protein kinase, putative 0.0108 0.2123 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.2123 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0105 0.0252
Loa Loa (eye worm) hypothetical protein 0.018 0.3595 0.7098
Echinococcus multilocularis 0.0072 0.1391 0.1391
Echinococcus granulosus hypothetical protein 0.0072 0.1391 0.1391
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0074 0.1413 0.6483
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1252 0.8771
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0105 0.0252
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.008 0.1541 0.1541
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0105 0.0252
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0105 0.5
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0105 0.0252
Loa Loa (eye worm) hypothetical protein 0.001 0.0105 0.0207
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2552 0.2552

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 8.38 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A - CLK1 Selectivity Assay Measured in Biochemical System Using Plate Reader - 2124-05_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
AC50 (binding) = 13.767 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
IC50 (functional) 85.543 uM PubChem BioAssay. Absorbance-based biochemical high throughput dose response assay to identify inhibitors of Methionine sulfoxide reductase A (MsrA). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 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
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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