Detailed information for compound 1448578

Basic information

Technical information
  • TDR Targets ID: 1448578
  • Name: 2-methyl-N-[(5-methylthiophen-2-yl)methyl]-5- (3-methyl-[1,2,4]triazolo[4,3-d][1,3,4]thiadi azol-6-yl)aniline
  • MW: 355.48 | Formula: C17H17N5S2
  • H donors: 1 H acceptors: 3 LogP: 4.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(s1)CNc1cc(ccc1C)c1sc2n(n1)c(nn2)C
  • InChi: 1S/C17H17N5S2/c1-10-4-6-13(16-21-22-12(3)19-20-17(22)24-16)8-15(10)18-9-14-7-5-11(2)23-14/h4-8,18H,9H2,1-3H3
  • InChiKey: OABARYJAOYDNOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-N-[(5-methyl-2-thienyl)methyl]-5-(3-methyl-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)aniline
  • [2-methyl-5-(3-methyl-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)phenyl]-[(5-methyl-2-thienyl)methyl]amine
  • 2-Thiophenemethanamine, 5-methyl-N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-
  • 2-methyl-N-[(5-methyl-2-thienyl)methyl]-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
  • MLS000052196
  • SMR000081575
  • AN-465/43206102
  • N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-N-[(5-methyl-2-thienyl)methyl]amine
  • A3755/0159203
  • ZINC01062777

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Smad1 0.001 0.0339 0.0308
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0984 0.1537
Entamoeba histolytica hypothetical protein 0.0043 0.2691 0.5
Brugia malayi MH2 domain containing protein 0.001 0.0339 0.0308
Brugia malayi MH2 domain containing protein 0.0144 0.9736 0.9735
Brugia malayi hypothetical protein 0.0043 0.2691 0.2667
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2691 0.5379
Brugia malayi RNA binding protein 0.0076 0.5003 0.4987
Schistosoma mansoni hypothetical protein 0.0041 0.253 0.5058
Loa Loa (eye worm) hypothetical protein 0.0148 1 1
Echinococcus granulosus smad 0.001 0.0339 0.0178
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.4797 0.959
Schistosoma mansoni hypothetical protein 0.0019 0.0984 0.1968
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.9736 0.9735
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3956 1
Brugia malayi TAR-binding protein 0.0076 0.5003 0.4987
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3956 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.3956 0.3937
Schistosoma mansoni hypothetical protein 0.0043 0.2691 0.5379
Brugia malayi MH1 domain containing protein 0.001 0.0339 0.0308
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0984 0.1537
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3956 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5003 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.5003 0.4987
Schistosoma mansoni smad1 5 8 and 0.001 0.0339 0.0678
Schistosoma mansoni smad1 5 8 and 0.001 0.0339 0.0678
Entamoeba histolytica hypothetical protein 0.0043 0.2691 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0339 0.0178
Echinococcus granulosus GPCR family 2 0.0019 0.0984 0.1537
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.3956 0.7796
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3863 0.3843
Echinococcus multilocularis cpg binding protein 0.0037 0.2216 0.4131
Entamoeba histolytica hypothetical protein 0.0043 0.2691 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.2216 0.4131
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0403 0.0311
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0393 0.0362
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.3956 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0403 0.0311
Trypanosoma brucei protein kinase, putative 0.0062 0.3956 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.9736 0.9735
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.3956 0.7796
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5003 1
Brugia malayi MAP kinase sur-1 0.0062 0.3956 0.3937
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.3956 0.7908
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5003 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0984 0.1537
Schistosoma mansoni hypothetical protein 0.0019 0.0984 0.1968
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0984 0.0955
Loa Loa (eye worm) hypothetical protein 0.0148 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.5003 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.3956 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.2216 0.443
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0984 0.0955
Brugia malayi MH2 domain containing protein 0.001 0.0339 0.0308
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0339 0.0178
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.253 0.2506
Loa Loa (eye worm) TAR-binding protein 0.0076 0.5003 0.4987
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5003 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.4248 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0403 0.0372
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.3956 0.7796
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0255 0.0509
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5003 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3863 0.3843
Onchocerca volvulus Huntingtin homolog 0.0148 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3956 1
Echinococcus multilocularis smad 0.001 0.0339 0.0178
Loa Loa (eye worm) Smad1 0.001 0.0339 0.0308
Schistosoma mansoni smad 0.001 0.0339 0.0678
Loa Loa (eye worm) hypothetical protein 0.006 0.3863 0.3843
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3956 0.5
Brugia malayi CXXC zinc finger family protein 0.0035 0.2078 0.2052
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0339 0.0308
Loa Loa (eye worm) hypothetical protein 0.0019 0.0984 0.0955
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0339 0.0178
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3863 0.3843
Schistosoma mansoni hypothetical protein 0.0019 0.0984 0.1968
Schistosoma mansoni hypothetical protein 0.0019 0.0984 0.1968
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0339 0.0178
Schistosoma mansoni cpg binding protein 0.0035 0.2078 0.4154
Schistosoma mansoni cpg binding protein 0.0037 0.2216 0.443
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0984 0.1537
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2691 0.5131
Echinococcus granulosus Smad4 0.001 0.0339 0.0178
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.5003 0.4987
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.3956 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2078 0.2052
Brugia malayi MH1 domain containing protein 0.001 0.0339 0.0308
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0984 0.1537
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.5003 0.4987
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0339 0.0308
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.3956 0.5
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.3956 0.5
Schistosoma mansoni Smad4 0.001 0.0339 0.0678
Entamoeba histolytica hypothetical protein 0.0043 0.2691 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.5003 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.253 0.2506
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.3956 0.5
Onchocerca volvulus Huntingtin homolog 0.0148 1 1
Echinococcus multilocularis Smad4 0.001 0.0339 0.0178
Schistosoma mansoni smad1 5 8 and 0.001 0.0339 0.0678
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0339 0.0678
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3956 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2691 0.5131
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.3956 0.7796
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0984 0.0955

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1259 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 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) = 15.8489 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) 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) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.