Detailed information for compound 1458134

Basic information

Technical information
  • TDR Targets ID: 1458134
  • Name: (3-amino-1,2,4-triazol-4-yl)-(3,5-dimethylphe nyl)methanone
  • MW: 216.239 | Formula: C11H12N4O
  • H donors: 1 H acceptors: 3 LogP: 1.9 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)cc(c1)C(=O)n1cnnc1N
  • InChi: 1S/C11H12N4O/c1-7-3-8(2)5-9(4-7)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14)
  • InChiKey: DCEIJDRLZJWLKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3-Amino-[1,2,4]triazol-4-yl)-(3,5-dimethyl-phenyl)-methanone
  • MLS000063609
  • SMR000075231
  • STK228853
  • ZINC00496741
  • SDCCGMLS-0043792.P002
  • 4-(3,5-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine
  • BAS 07399473

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Plasmodium falciparum M18 aspartyl aminopeptidase Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens coagulation factor XII (Hageman factor) Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum possible aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Echinococcus granulosus serine:threonine protein kinase PLK1 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
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium yoelii aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium knowlesi M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium falciparum M18 aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans similar to vacuolar aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium berghei M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma mansoni aspartyl aminopeptidase (M18 family) Get druggable targets OG5_128020 All targets in OG5_128020
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi serine/threonine-protein kinase plk-2 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
Leishmania braziliensis aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K01267 aspartyl aminopeptidase [EC3.4.11.21], putative Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma mansoni aspartyl aminopeptidase (M18 family) Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans similar to vacuolar aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Entamoeba histolytica aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium vivax M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Babesia bovis aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Mycobacterium tuberculosis Probable aminopeptidase PepC Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Theileria parva aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus aspartyl aminopeptidase 0.0087 0.0532 0.0499
Loa Loa (eye worm) hypothetical protein 0.0906 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0849 1
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0087 0.0532 0.0521
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1804 0.1775
Loa Loa (eye worm) hypothetical protein 0.0087 0.0532 0.0499
Entamoeba histolytica aminopeptidase, putative 0.0087 0.0532 0.6113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0169 0.0134
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0035 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0849 1
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.0532 0.6273
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0035 0.0411
Trypanosoma brucei polo-like protein kinase 0.0114 0.0849 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1804 0.1775
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0169 0.0157
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1804 0.1775
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0035 0.0411
Giardia lamblia Kinase, PLK 0.0114 0.0849 0.5
Echinococcus granulosus microtubule associated protein 2 0.0833 0.916 0.9157
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0087 0.0532 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0849 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0035 0.0411
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0087 0.0532 0.6113
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0849 1
Echinococcus granulosus sodium bile acid cotransporter 0.0906 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0169 0.0134
Loa Loa (eye worm) hypothetical protein 0.0087 0.0532 0.0499
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0849 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0849 0.0816
Echinococcus granulosus sodium bile acid cotransporter 0.0906 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0035 0.0411
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0849 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0169 0.0134
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0087 0.0532 0.6113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0169 0.0157
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.0532 0.6273
Schistosoma mansoni sodium-bile acid cotransporter related 0.0906 1 1
Echinococcus multilocularis sodium bile acid cotransporter 0.0906 1 1
Onchocerca volvulus 0.0906 1 1
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0087 0.0532 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0849 0.0816
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.2762 0.2737
Brugia malayi follicle stimulating hormone receptor 0.028 0.2762 0.2737
Echinococcus multilocularis sodium bile acid cotransporter 0.0906 1 1
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0087 0.0532 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0849 1
Schistosoma mansoni sodium-bile acid cotransporter related 0.0367 0.3776 0.3768
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0849 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0035 0.0411
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0169 0.0134
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0849 0.0816
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0087 0.0532 0.6113
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.916 0.9159
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0035 0.0411
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0035 0.0411
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0849 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0169 0.0157
Brugia malayi Aspartyl aminopeptidase 0.0087 0.0532 0.0499
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.0532 0.6273
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0169 0.0134
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1804 0.1775
Echinococcus multilocularis aspartyl aminopeptidase 0.0087 0.0532 0.0499
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.916 0.9157
Loa Loa (eye worm) aspartyl aminopeptidase 0.0087 0.0532 0.0499
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0169 0.0134
Schistosoma mansoni alpha-glucosidase 0.0169 0.1487 0.1477
Schistosoma mansoni kinase 0.0058 0.02 0.0189
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0849 0.0003
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1804 0.1775
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0035 0.0411
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0849 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.1487 0.1477
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0087 0.0532 0.0521
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0035 0.0411
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0183 0.2156
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0849 0.0838
Echinococcus granulosus sodium bile acid cotransporter 0.0906 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0849 0.0816
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0087 0.0532 0.6113
Schistosoma mansoni alpha glucosidase 0.0044 0.0035 0.0023
Echinococcus multilocularis sodium bile acid cotransporter 0.0906 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0849 1
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0087 0.0532 0.5
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0087 0.0532 0.6113
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0087 0.0532 0.6113
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0183 0.2156
Schistosoma mansoni sodium-bile acid cotransporter 0.0539 0.5755 0.575

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 1.401053333 uM PUBCHEM_BIOASSAY: Factor XIIa Dose Response Confirmation from Single Well HTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID701] ChEMBL. No reference
IC50 (functional) 1.401053333 uM PUBCHEM_BIOASSAY: Factor XIIa 1536 HTS Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID800] ChEMBL. No reference
IC50 (binding) = 2.888 um PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay for inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PFM18AAP). (Class of assay: confirmatory) [Related PubChem assays: 2170 (Confirmation screen (PFM18AAP inhibitors).), 1855 (Summary AID.)] ChEMBL. No reference
IC50 (binding) > 59.642 um PUBCHEM_BIOASSAY: QFRET-based counterscreen for inhibitors of PFM18AAP: biochemical high throughput dose response assay for inhibitors of the Cathepsin L proteinase (CTSL1). (Class of assay: confirmatory) [Related pubchem assays: 2178 (Confirmation screen (PFM18AAP inhibitors).), 1855 (Summary AID.)] ChEMBL. No reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.8876 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
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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