Detailed information for compound 1433354

Basic information

Technical information
  • TDR Targets ID: 1433354
  • Name: 4-bromo-3,5-dimethyl-1-(2,3,4-trimethylphenyl )sulfonylpyrazole
  • MW: 357.266 | Formula: C14H17BrN2O2S
  • H donors: 0 H acceptors: 3 LogP: 4.05 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1c(C)ccc(c1C)S(=O)(=O)n1nc(c(c1C)Br)C
  • InChi: 1S/C14H17BrN2O2S/c1-8-6-7-13(10(3)9(8)2)20(18,19)17-12(5)14(15)11(4)16-17/h6-7H,1-5H3
  • InChiKey: RIWZECQDJDSSJE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-bromo-3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonyl-pyrazole
  • MLS000085543
  • SMR000020478
  • EU-0050494
  • 4-bromo-3,5-dimethyl-1-[(2,3,4-trimethylphenyl)sulfonyl]-1H-pyrazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0128 0.0267
Mycobacterium ulcerans lysophospholipase 0.0479 0.4741 1
Brugia malayi amidase 0.0466 0.4605 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0037 0.008
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0056 0.0296 0.0621
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0479 0.4741 1
Mycobacterium ulcerans hypothetical protein 0.0479 0.4741 1
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0056 0.0296 0.0621
Brugia malayi Cytochrome P450 family protein 0.0032 0.0037 0.0077
Loa Loa (eye worm) pyruvate kinase 0.004 0.0128 0.0278
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0056 0.0296 0.0294
Brugia malayi hypothetical protein 0.0043 0.0161 0.0347
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0479 0.4741 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0001 0.0003
Entamoeba histolytica hypothetical protein 0.0028 0.0001 0.0003
Mycobacterium ulcerans amidase 0.0056 0.0296 0.0621
Loa Loa (eye worm) hypothetical protein 0.004 0.0128 0.0278
Trypanosoma cruzi amidase, putative 0.0056 0.0296 0.0621
Plasmodium falciparum lysophospholipase, putative 0.0479 0.4741 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0466 0.4605 1
Brugia malayi Amidase family protein 0.0056 0.0296 0.0639
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0161 0.016
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0056 0.0296 1
Trypanosoma cruzi amidase, putative 0.0056 0.0296 0.0621
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0056 0.0296 0.0621
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0128 0.0275
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0161 0.0347
Entamoeba histolytica hypothetical protein 0.0043 0.0161 0.034
Trypanosoma cruzi monoglyceride lipase, putative 0.0479 0.4741 1
Echinococcus granulosus pyruvate kinase 0.004 0.0128 0.0275
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0056 0.0296 0.0363
Loa Loa (eye worm) hypothetical protein 0.0028 0.0001 0.0003
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0128 0.0267
Mycobacterium tuberculosis Possible lysophospholipase 0.0479 0.4741 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0128 0.0278
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0466 0.4605 0.4605
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0479 0.4741 1
Mycobacterium ulcerans pyruvate kinase 0.004 0.0128 0.0267
Schistosoma mansoni fatty-acid amide hydrolase 0.0056 0.0296 0.0639
Trichomonas vaginalis conserved hypothetical protein 0.0479 0.4741 1
Leishmania major pyruvate kinase 0.004 0.0128 0.0267
Echinococcus multilocularis pyruvate kinase 0.004 0.0128 0.0127
Entamoeba histolytica hypothetical protein 0.0043 0.0161 0.034
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0056 0.0296 0.0363
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0479 0.4741 1
Leishmania major monoglyceride lipase, putative 0.0479 0.4741 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0056 0.0296 0.0639
Trichomonas vaginalis conserved hypothetical protein 0.0479 0.4741 1
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0056 0.0296 0.0621
Mycobacterium ulcerans amidase 0.0056 0.0296 0.0621
Mycobacterium ulcerans amidase 0.0056 0.0296 0.0621
Trypanosoma brucei pyruvate kinase 1 0.004 0.0128 0.0267
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0161 0.0347
Loa Loa (eye worm) amidase 0.0056 0.0296 0.0642
Loa Loa (eye worm) pyruvate kinase 0.004 0.0128 0.0278
Mycobacterium ulcerans amidase 0.0056 0.0296 0.0621
Trypanosoma brucei monoglyceride lipase, putative 0.0479 0.4741 1
Brugia malayi Amidase family protein 0.0056 0.0296 0.0639
Schistosoma mansoni pyruvate kinase 0.004 0.0128 0.0275
Plasmodium vivax pyruvate kinase, putative 0.004 0.0128 0.0267
Plasmodium falciparum lysophospholipase, putative 0.0479 0.4741 1
Mycobacterium ulcerans peptide amidase, GatA 0.0056 0.0296 0.0621
Leishmania major pyruvate kinase 0.004 0.0128 0.0267
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0028 0.0001 0.0003
Echinococcus granulosus pyruvate kinase 0.004 0.0128 0.0275
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0056 0.0296 0.0621
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0479 0.4741 1
Loa Loa (eye worm) hypothetical protein 0.0466 0.4605 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0466 0.4605 0.4605
Schistosoma mansoni pyruvate kinase 0.004 0.0128 0.0275
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0128 0.0267
Entamoeba histolytica ;Alias 0.0028 0.0001 0.0003
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0128 0.5
Echinococcus multilocularis pyruvate kinase 0.0032 0.0039 0.0037
Plasmodium vivax PST-A protein 0.0479 0.4741 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0001 0.0003
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0056 0.0296 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0479 0.4741 1
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0056 0.0296 0.0621
Loa Loa (eye worm) hypothetical protein 0.0028 0.0001 0.0003
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0128 0.0267
Trypanosoma brucei monoglyceride lipase, putative 0.0479 0.4741 1
Entamoeba histolytica hypothetical protein 0.0043 0.0161 0.034
Loa Loa (eye worm) hypothetical protein 0.0028 0.0001 0.0003
Giardia lamblia Pyruvate kinase 0.004 0.0128 1
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0128 1
Chlamydia trachomatis pyruvate kinase 0.004 0.0128 0.4304
Echinococcus granulosus fatty acid amide hydrolase 1 0.0466 0.4605 1
Schistosoma mansoni amidase 0.0466 0.4605 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0128 0.0267
Plasmodium falciparum pyruvate kinase 0.004 0.0128 0.0267
Plasmodium falciparum esterase, putative 0.0479 0.4741 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0466 0.4605 1
Entamoeba histolytica hypothetical protein 0.0028 0.0001 0.0003
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0056 0.0296 0.0621
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0128 0.5
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0128 0.0267
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0056 0.0296 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0479 0.4741 1
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0056 0.0296 0.0621
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0128 0.0275
Loa Loa (eye worm) amidase 0.0056 0.0296 0.0642
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0128 0.5
Mycobacterium ulcerans amidase 0.0056 0.0296 0.0621
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0479 0.4741 1
Leishmania major hypothetical protein, conserved 0.0056 0.0296 0.0621
Plasmodium falciparum lysophospholipase, putative 0.0479 0.4741 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0056 0.0296 0.0639
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0056 0.0296 0.0294
Brugia malayi putative amidase 0.0056 0.0296 0.0639
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0056 0.0296 0.0639
Echinococcus multilocularis pyruvate kinase 0.004 0.0128 0.0127
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0056 0.0296 0.0621
Schistosoma mansoni hypothetical protein 0.0043 0.0161 0.0347
Entamoeba histolytica hypothetical protein 0.0043 0.0161 0.034
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0479 0.4741 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.891250938 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.5012 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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 Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 70.7946 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) 89.1251 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) 89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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