Detailed information for compound 1311383

Basic information

Technical information
  • TDR Targets ID: 1311383
  • Name: 2-[5-[[1-(4-bromophenyl)-3-methyl-5-oxopyrazo l-4-ylidene]methyl]furan-2-yl]benzoic acid
  • MW: 451.269 | Formula: C22H15BrN2O4
  • H donors: 1 H acceptors: 3 LogP: 4.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)N1N=C(/C(=C\c2ccc(o2)c2ccccc2C(=O)O)/C1=O)C
  • InChi: 1S/C22H15BrN2O4/c1-13-19(21(26)25(24-13)15-8-6-14(23)7-9-15)12-16-10-11-20(29-16)17-4-2-3-5-18(17)22(27)28/h2-12H,1H3,(H,27,28)/b19-12+
  • InChiKey: QYIZCZQLIXJZOX-XDHOZWIPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[5-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
  • 2-[5-[[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-furyl]benzoic acid
  • 2-[5-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-furyl]benzoic acid
  • 2-[5-[[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-furyl]benzoic acid
  • 2-[5-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-furyl]benzoic acid
  • 2-[5-[(E)-[1-(4-bromophenyl)-5-keto-3-methyl-pyrazol-4-ylidene]methyl]-2-furyl]benzoic acid
  • 2-[5-[[1-(4-bromophenyl)-5-keto-3-methyl-pyrazol-4-ylidene]methyl]-2-furyl]benzoic acid
  • 2-[5-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
  • 2-[5-[[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
  • 2-(5-{[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-furyl)benzoic acid
  • MLS001163464
  • SMR000497170

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0465 0.0465
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0465 0.034
Echinococcus multilocularis chromobox protein 2 0.0014 0.0612 0.0489
Plasmodium vivax heterochromatin protein 1, putative 0.0014 0.0612 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0465 0.0465
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0014 0.0612 0.1118
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Schistosoma mansoni DNA polymerase eta 0.0023 0.1504 0.1504
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.0797 0.0797
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0827 0.0827
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1504 0.1504
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0014 0.0612 0.1118
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0014 0.0612 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0465 0.0465
Loa Loa (eye worm) hypothetical protein 0.0037 0.2784 0.2784
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1504 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1504 1
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.0797 0.0676
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.4608 0.4577
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0465 0.0465
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1504 0.1393
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0465 0.0465
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0465 0.0465
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0465 0.0465
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0465 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0612 0.0557
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0465 0.034
Brugia malayi CHD4 protein 0.0016 0.0797 0.0797
Trichomonas vaginalis hypothetical protein 0.0014 0.0612 0.0557
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0465 0.0465
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.0797 0.0797
Schistosoma mansoni cpg binding protein 0.0037 0.2754 0.2754
Brugia malayi nuclear receptor NHR-88 0.0012 0.0465 0.0465
Onchocerca volvulus 0.0015 0.0683 0.0228
Loa Loa (eye worm) hypothetical protein 0.0012 0.0465 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.2448 0.2404
Leishmania major DNA polymerase eta, putative 0.0023 0.1504 0.1504
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0465 0.034
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0612 0.0612
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.1504 0.1504
Loa Loa (eye worm) hypothetical protein 0.0014 0.0612 0.0612
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1504 0.1504
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0465 0.034
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.4073 0.3783
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0465 0.0465
Echinococcus granulosus Chromobox protein 3 0.0014 0.0612 0.0489
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0465 0.034
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0012 0.0465 0.0465
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0465 0.0465
Schistosoma mansoni kinase 0.0058 0.4749 0.4749
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0612 0.0489
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 1 1
Brugia malayi hypothetical protein 0.0014 0.0612 0.0612
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1504 0.1504
Loa Loa (eye worm) hypothetical protein 0.0012 0.0465 0.0465
Trypanosoma brucei unspecified product 0.0016 0.0827 0.0827
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1504 0.1504
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0015 0.0683 0.0683
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1504 0.1504
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0465 0.034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0465 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0612 0.0557
Loa Loa (eye worm) hypothetical protein 0.0014 0.0612 0.0612
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0465 0.0465
Onchocerca volvulus 0.0014 0.0612 0.0154
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0465 0.034
Leishmania major DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0014 0.0612 0.1118
Echinococcus multilocularis dna polymerase eta 0.0023 0.1504 0.1393
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.1504 0.1504
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.3737 0.3701
Schistosoma mansoni serine/threonine protein kinase 0.0114 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0953 0.09
Brugia malayi Heterochromatin protein 1 0.0084 0.7198 0.7198
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0465 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0612 0.0557
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0465 0.034
Loa Loa (eye worm) hypothetical protein 0.0012 0.0465 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0612 0.0557
Trypanosoma brucei unspecified product 0.0023 0.1504 0.1504
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0465 0.0465
Brugia malayi ecdysteroid receptor 0.0012 0.0465 0.0465
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0465 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0612 0.0557
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0465 0.0465
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0465 0.0465
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0612 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.6209 0.6209
Trichomonas vaginalis chromobox protein, putative 0.0084 0.7198 0.7182
Loa Loa (eye worm) hypothetical protein 0.0012 0.0465 0.0465
Echinococcus multilocularis cpg binding protein 0.0037 0.2754 0.2659
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0612 0.0557
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.1007 0.0954
Trypanosoma brucei polo-like protein kinase 0.0114 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0465 0.034
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0465 0.034
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0612 0.0557
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0612 0.0557
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.7198 0.7198
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0465 0.034
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1504 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.1007 0.0954
Echinococcus granulosus dna polymerase kappa 0.0023 0.1504 0.1393
Giardia lamblia Kinase, PLK 0.0114 1 1
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0314 0.0314
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0465 0.0465
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1347 0.1296
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0612 0.0612
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0465 0.0465
Echinococcus multilocularis chromobox protein 1 0.0084 0.7198 0.7161
Loa Loa (eye worm) helicase 0.0014 0.0612 0.0612
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0465 0.034
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0465 0.0465
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0612 0.0557
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0465 0.034
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1347 0.1296
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0612 0.0612
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0465 0.0465
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0465 0.034
Brugia malayi M-phase phosphoprotein, mpp8 0.0014 0.0612 0.0612
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0465 0.0465
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0465 0.034
Schistosoma mansoni chromobox protein 0.0014 0.0612 0.0612
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Plasmodium falciparum heterochromatin protein 1 0.0014 0.0612 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.7198 0.7161
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0612 0.0557
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.4608 0.4577
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1504 0.1393
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0465 0.034
Echinococcus granulosus dna polymerase eta 0.0023 0.1504 0.1393
Brugia malayi chromobox protein homolog 3 0.0047 0.3737 0.3737
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1504 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0.1504 0.1504
Loa Loa (eye worm) hypothetical protein 0.0012 0.0465 0.0465
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0612 0.0557
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Brugia malayi Associated with TFs and helicases family protein 0.0014 0.0612 0.0612
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0465 0.0465
Trichomonas vaginalis chromobox protein, putative 0.0051 0.4073 0.4038
Trichomonas vaginalis Heterochromatin protein, putative 0.0014 0.0612 0.0557
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1347 0.1296
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0014 0.0612 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0465 0.0465
Schistosoma mansoni cpg binding protein 0.0037 0.2754 0.2754
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1504 0.0951
Echinococcus granulosus chromobox protein 2 0.0014 0.0612 0.0489
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0465 0.034
Onchocerca volvulus 0.0035 0.2569 0.2207
Brugia malayi Protein cec-1. 0.0014 0.0612 0.0612
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1504 0.1454
Echinococcus granulosus chromobox protein 1 0.0084 0.7198 0.7161
Onchocerca volvulus 0.0014 0.0612 0.0154
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.1347 0.1296
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1504 0.1504
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0612 0.0489
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.1504 0.1504
Loa Loa (eye worm) hypothetical protein 0.0014 0.0612 0.0612
Loa Loa (eye worm) hypothetical protein 0.0047 0.3737 0.3737
Schistosoma mansoni cpg binding protein 0.0035 0.2569 0.2569
Brugia malayi nuclear hormone receptor 0.0012 0.0465 0.0465
Loa Loa (eye worm) hypothetical protein 0.0023 0.1504 0.1504
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1347 0.1296
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.2448 0.2404
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0465 0.0465
Trichomonas vaginalis chromobox protein, putative 0.0084 0.7198 0.7182
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0465 0.0465
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.1347 0.1296
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0465 0.0465
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0465 0.034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0612 0.0612
Echinococcus multilocularis Chromo domain 0.0014 0.0612 0.0489
Brugia malayi CXXC zinc finger family protein 0.0035 0.2569 0.2569
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0827 0.0827
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0327 0.0327
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0465 0.0465
Loa Loa (eye worm) hypothetical protein 0.0014 0.0612 0.0612
Brugia malayi steroid hormone receptor 0.0012 0.0465 0.0465
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0465 0.0465
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0612 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0327 0.02
Trypanosoma brucei unspecified product 0.0016 0.0827 0.0827
Echinococcus multilocularis Chromobox protein 3 0.0014 0.0612 0.0489
Echinococcus granulosus cpg binding protein 0.0037 0.2754 0.2659
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0827 0.0827
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Loa Loa (eye worm) hypothetical protein 0.0014 0.0612 0.0612
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0465 0.0465
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0465 0.0465
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0465 0.0465
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1504 0.1504
Onchocerca volvulus 0.0037 0.2784 0.2431
Brugia malayi SET domain containing protein 0.0015 0.0683 0.0683
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0612 0.0557
Loa Loa (eye worm) hypothetical protein 0.0012 0.0465 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.3737 0.3701
Schistosoma mansoni coup transcription factor 0.0012 0.0465 0.0465
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0327 0.02
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1504 0.1504
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0612 0.0557
Loa Loa (eye worm) hypothetical protein 0.0014 0.0612 0.0612
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Schistosoma mansoni chromobox protein 0.0014 0.0612 0.0612
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0465 0.0465
Schistosoma mansoni chromobox protein 0.0084 0.7198 0.7198
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1347 0.1296
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0014 0.0612 0.0612
Trichomonas vaginalis chromobox protein, putative 0.0051 0.4073 0.4038
Echinococcus granulosus Chromo domain 0.0014 0.0612 0.0489
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.0797 0.0676
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0465 0.0465
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0465 0.0465
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1504 0.1504
Brugia malayi Valyl-tRNA synthetase 0.0014 0.0612 0.0612
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.3737 0.3432
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2569 0.2569
Schistosoma mansoni chromobox protein 0.0084 0.7198 0.7198
Schistosoma mansoni hypothetical protein 0.0014 0.0612 0.0612
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0465 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0612 0.0557
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1504 0.1393
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.5473 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.1347 0.1296
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1504 0.1454
Echinococcus granulosus chromobox protein 1 0.0084 0.7198 0.7161

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 29.95 uM PUBCHEM_BIOASSAY: Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588708, AID588742] ChEMBL. No reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 11.9173 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 23.1093 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) 26.8545 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) = 28.1838 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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