Detailed information for compound 1420567

Basic information

Technical information
  • TDR Targets ID: 1420567
  • Name: 2-[[5,7-dimethyl-6-[(2-methylphenyl)methyl]-[ 1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl] -N-(3-pyrrolidin-1-ylpropyl)acetamide
  • MW: 452.615 | Formula: C24H32N6OS
  • H donors: 1 H acceptors: 4 LogP: 4.26 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nn2c(n1)nc(c(c2C)Cc1ccccc1C)C)NCCCN1CCCC1
  • InChi: 1S/C24H32N6OS/c1-17-9-4-5-10-20(17)15-21-18(2)26-23-27-24(28-30(23)19(21)3)32-16-22(31)25-11-8-14-29-12-6-7-13-29/h4-5,9-10H,6-8,11-16H2,1-3H3,(H,25,31)
  • InChiKey: HSHDDHDMPQJCJS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-N-(3-1-pyrrolidinylpropyl)acetamide
  • 2-[[5,7-dimethyl-6-(2-methylbenzyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-N-(3-pyrrolidin-1-ylpropyl)acetamide
  • 2-[[5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(3-pyrrolidin-1-ylpropyl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0228 0.0228
Entamoeba histolytica hypothetical protein 0.0036 0.1186 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0124 0.1806
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0689 0.0689
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0853 0.3039
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0505 0.0505
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.1743 0.1743
Loa Loa (eye worm) hypothetical protein 0.0159 0.5886 0.5886
Onchocerca volvulus 0.0035 0.1144 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0689 1
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0505 0.1799
Schistosoma mansoni hypothetical protein 0.005 0.1743 0.1743
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0505 0.2836
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0689 0.0689
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.2809 0.2809
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0124 0.1806
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.1781 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.1144 0.1144
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0124 0.1806
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0505 0.1799
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.2621 0.2621
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0268 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0124 0.1806
Schistosoma mansoni hypothetical protein 0.005 0.1743 0.1743
Brugia malayi CXXC zinc finger family protein 0.0035 0.1144 0.1144
Echinococcus granulosus cpg binding protein 0.0037 0.1219 0.1219
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0124 0.1806
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0124 0.1806
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0505 0.7334
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.2809 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.2809 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0124 0.1806
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0505 0.1799
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0689 0.0689
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.1781 0.4744
Echinococcus multilocularis cpg binding protein 0.0037 0.1219 0.1219
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0153 0.0153
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0689 0.5807
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0124 0.1806
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0689 0.0689
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0153 0.0153
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0015 0.0015
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.2809 1
Schistosoma mansoni ap endonuclease 0.0023 0.0689 0.0689
Toxoplasma gondii hypothetical protein 0.0027 0.0853 0.3039
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.2809 0.5
Schistosoma mansoni tar DNA-binding protein 0.0268 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0689 1
Echinococcus granulosus tar DNA binding protein 0.0268 1 1
Schistosoma mansoni tar DNA-binding protein 0.0268 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.2809 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0853 0.3039
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.1781 0.1781
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0689 0.2453
Brugia malayi Probable ClpP-like protease 0.0078 0.2809 0.2809
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0124 0.1806
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0689 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0234 0.0234
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0505 0.0505
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0505 0.0505
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0689 0.2453
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0124 0.1806
Schistosoma mansoni hypothetical protein 0.005 0.1743 0.1743
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0505 0.0505
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0505 0.7334
Echinococcus granulosus GPCR family 2 0.005 0.1743 0.1743
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0505 0.0505
Loa Loa (eye worm) TAR-binding protein 0.0268 1 1
Brugia malayi TAR-binding protein 0.0268 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0234 0.0234
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.2809 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0124 0.1806
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.1781 0.1781
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0124 0.1806
Brugia malayi Latrophilin receptor protein 2 0.005 0.1743 0.1743
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0689 0.3868
Brugia malayi hypothetical protein 0.0036 0.1186 0.1186
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0505 0.7334
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0159 0.5886 0.5886
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.1743 0.1743
Entamoeba histolytica hypothetical protein 0.0036 0.1186 1
Brugia malayi isocitrate dehydrogenase 0.0018 0.0505 0.0505
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0124 0.1806
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.2809 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0153 0.0153
Schistosoma mansoni tar DNA-binding protein 0.0268 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0109 0.3969 0.3969
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.2809 0.2809
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.2809 1
Brugia malayi RNA recognition motif domain containing protein 0.0268 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0153 0.0153
Entamoeba histolytica hypothetical protein 0.0036 0.1186 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0124 0.1806
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.1743 0.1743
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0689 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.1781 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.1743 0.1743
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0159 0.5886 0.5886
Echinococcus multilocularis GPCR, family 2 0.005 0.1743 0.1743
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0234 0.0234
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0505 0.0505
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0505 0.0505
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0689 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.2809 1
Trichomonas vaginalis helicase, putative 0.0008 0.0124 0.1806
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0124 0.1806
Toxoplasma gondii exonuclease III APE 0.0023 0.0689 0.2453
Loa Loa (eye worm) hypothetical protein 0.0078 0.2809 0.2809
Schistosoma mansoni ap endonuclease 0.0023 0.0689 0.0689
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0853 0.3039
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0505 0.0505
Schistosoma mansoni hypothetical protein 0.0036 0.1186 0.1186
Schistosoma mansoni cpg binding protein 0.0035 0.1144 0.1144
Echinococcus multilocularis tar DNA binding protein 0.0268 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0159 0.5886 0.5886
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0505 0.7334
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0689 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0153 0.0153
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.2809 1
Schistosoma mansoni hypothetical protein 0.0109 0.3969 0.3969
Schistosoma mansoni tar DNA-binding protein 0.0268 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.1219 0.1219
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0505 0.0505
Entamoeba histolytica hypothetical protein 0.0036 0.1186 1
Schistosoma mansoni hypothetical protein 0.005 0.1743 0.1743
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0124 0.1806
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1186 0.1186
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0689 0.2453
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1186 0.1186
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.2809 1
Schistosoma mansoni cpg binding protein 0.0037 0.1219 0.1219
Schistosoma mansoni tar DNA-binding protein 0.0268 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0505 0.7334
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0689 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0124 0.1806
Loa Loa (eye worm) hypothetical protein 0.005 0.1743 0.1743
Loa Loa (eye worm) hypothetical protein 0.0109 0.3969 0.3969
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.1743 0.1743
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0505 0.1799
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.1743 0.1743
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.2809 0.2809
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1186 0.1186
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.2323 0.827
Loa Loa (eye worm) RNA binding protein 0.0268 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 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) 3.9811 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.5193 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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) 10.4179 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) = 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) 89.1251 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 for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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