Detailed information for compound 1282738

Basic information

Technical information
  • TDR Targets ID: 1282738
  • Name: N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline- 2-carbothioamide
  • MW: 282.403 | Formula: C17H18N2S
  • H donors: 1 H acceptors: 0 LogP: 3.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(N1CCc2c(C1)cccc2)NCc1ccccc1
  • InChi: 1S/C17H18N2S/c20-17(18-12-14-6-2-1-3-7-14)19-11-10-15-8-4-5-9-16(15)13-19/h1-9H,10-13H2,(H,18,20)
  • InChiKey: VDWIELGMIISZQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(benzyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
  • SMR000376315
  • Oprea1_083374
  • T5306643
  • ZINC03325893
  • MLS000807225

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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 granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-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
Loa Loa (eye worm) RNA 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
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
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
Trypanosoma brucei cytochrome P450, putative 0.0018 0.0118 0.5717
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.2081 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0886 0.0886
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0006 0.0006
Echinococcus multilocularis beta hexosaminidase subunit beta 0.0022 0.0192 0.0366
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0006 0.0012
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1235 0.1235
Schistosoma mansoni lozenge 0.0067 0.1056 0.5072
Schistosoma mansoni hypothetical protein 0.0049 0.0713 0.3426
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0207 0.0693
Schistosoma mansoni coup transcription factor 0.0012 0.0006 0.0029
Schistosoma mansoni patched 1 0.0051 0.0748 0.3595
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0006 0.0029
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0006 0.0029
Toxoplasma gondii exonuclease III APE 0.0023 0.0207 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.1235 0.2361
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0018 0.0118 0.0396
Schistosoma mansoni ap endonuclease 0.0023 0.0207 0.0994
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0207 0.0395
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0006 0.0006
Echinococcus granulosus beta hexosaminidase subunit beta 0.0022 0.0192 0.0366
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0207 1
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0118 0.5717
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0207 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Mycobacterium ulcerans beta-glucosidase BglS 0.0022 0.0198 0.0664
Loa Loa (eye worm) hypothetical protein 0.0119 0.2046 0.2046
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0006 0.0029
Brugia malayi CHE-14 protein 0.0051 0.0748 0.0748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0006 0.0006
Trichomonas vaginalis beta-hexosaminidase, putative 0.0168 0.2987 1
Schistosoma mansoni hypothetical protein 0.0049 0.0713 0.3426
Brugia malayi Cytochrome P450 family protein 0.0018 0.0118 0.0118
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0137 0.0262
Entamoeba histolytica beta-N-acetylhexosaminidase, alpha subunit 0.0022 0.0192 0.0937
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0006 0.0006
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0006 0.0006
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0924 0.0924
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQI 0.0168 0.2987 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0207 1
Echinococcus granulosus beta D xylosidase 2 0.0022 0.0198 0.0379
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0006 0.0006
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0118 0.5717
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1235 0.1235
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2529 0.2529
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0207 1
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.0022 0.0192 0.0937
Schistosoma mansoni hypothetical protein 0.0019 0.0137 0.0658
Brugia malayi MH2 domain containing protein 0.0144 0.2529 0.2529
Onchocerca volvulus 0.0535 1 1
Brugia malayi nuclear hormone receptor 0.0012 0.0006 0.0006
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0006 0.0029
Echinococcus multilocularis protein dispatched 1 0.0058 0.0886 0.1693
Loa Loa (eye worm) glycosyl hydrolase family 20 0.0022 0.0192 0.0192
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1235 0.1235
Schistosoma mansoni hypothetical protein 0.0019 0.0137 0.0658
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0006 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0006 0.0006
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0137 0.0262
Entamoeba histolytica hypothetical protein 0.0022 0.0198 0.0969
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0006 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0006 0.0006
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1235 0.5936
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2529 0.2529
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5233 1
Brugia malayi ecdysteroid receptor 0.0012 0.0006 0.0006
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0006 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0006 0.0006
Trichomonas vaginalis Periplasmic beta-glucosidase precursor, putative 0.0022 0.0198 0.0664
Loa Loa (eye worm) hypothetical protein 0.006 0.0924 0.0924
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0748 0.143
Schistosoma mansoni hypothetical protein 0.0049 0.0713 0.3426
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0006 0.0012
Trichomonas vaginalis beta-hexosaminidase, putative 0.0066 0.1038 0.3476
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0006 0.0012
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0207 0.0207
Echinococcus granulosus beta hexosaminidase subunit alpha 0.0066 0.1038 0.1984
Loa Loa (eye worm) CYP4Cod1 0.0018 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0006 0.0006
Brugia malayi Cytochrome P450 family protein 0.003 0.0343 0.0343
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0207 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0748 0.0748
Trichomonas vaginalis conserved hypothetical protein 0.0168 0.2987 1
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.2046 0.391
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0006 0.0012
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.3022 0.5774
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5233 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0006 0.0012
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0207 0.0395
Mycobacterium tuberculosis Probable conserved lipoprotein LpqI 0.0168 0.2987 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.2046 1
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0343 0.0343
Schistosoma mansoni hypothetical protein 0.0058 0.0886 0.4259
Brugia malayi nuclear receptor NHR-88 0.0012 0.0006 0.0006
Brugia malayi steroid hormone receptor 0.0012 0.0006 0.0006
Brugia malayi hypothetical protein 0.0286 0.5233 0.5233
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0118 0.0118
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.3022 0.5774
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0006 0.0029
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0006 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0006 0.0006
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1235 0.5936
Schistosoma mansoni survival motor neuron protein 0.0058 0.0886 0.4259
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.056 0.056
Schistosoma mansoni hypothetical protein 0.0049 0.0713 0.3426
Onchocerca volvulus 0.0058 0.0886 0.0886
Schistosoma mansoni hypothetical protein 0.0019 0.0137 0.0658
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0924 0.0924
Loa Loa (eye worm) hypothetical protein 0.0041 0.056 0.056
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0006 0.0006
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0137 0.0262
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0006 0.0012
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0207 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0137 0.0137
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0006 0.0006
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0006 0.0012
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0006 0.0029
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0748 0.143
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0207 0.0693
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0924 0.0924
Loa Loa (eye worm) hypothetical protein 0.0019 0.0137 0.0137
Echinococcus multilocularis beta hexosaminidase subunit alpha 0.0066 0.1038 0.1984
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0006 0.0029
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0006 0.0012
Schistosoma mansoni hypothetical protein 0.0019 0.0137 0.0658
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0748 0.2505
Brugia malayi Cytochrome P450 family protein 0.0018 0.0118 0.0118
Echinococcus multilocularis GPCR, family 2 0.0019 0.0137 0.0262
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0207 0.0693
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1235 0.5936
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1235 0.2361
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0006 0.0006
Mycobacterium ulcerans lipoprotein LpqI 0.0168 0.2987 1
Entamoeba histolytica beta-N-acetylhexosaminidase, beta subunit 0.0022 0.0192 0.0937
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0006 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0006 0.0006
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0006 0.0029
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.0022 0.0192 0.0937
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Echinococcus granulosus expressed conserved protein 0.0112 0.1908 0.3646
Loa Loa (eye worm) hypothetical protein 0.0051 0.0748 0.0748
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0137 0.0137
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0006 0.0006
Brugia malayi RNA binding protein 0.0076 0.1235 0.1235
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0006 0.0006
Brugia malayi TAR-binding protein 0.0076 0.1235 0.1235
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0137 0.0262
Trichomonas vaginalis beta-hexosaminidase, putative 0.0066 0.1038 0.3476
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0006 0.0012
Trichomonas vaginalis beta-hexosaminidase, putative 0.0168 0.2987 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0006 0.0012
Chlamydia trachomatis DNA ligase 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0006 0.0006
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0006 0.0012
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0006 0.0012
Schistosoma mansoni beta-hexosaminidase B 0.0022 0.0192 0.0921
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0006 0.0006
Loa Loa (eye worm) runx1 0.0067 0.1056 0.1056
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0207 0.1011
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.2046 0.391
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0006 0.0012
Schistosoma mansoni hypothetical protein 0.0041 0.056 0.2689
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1235 0.5936
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0006 0.0006
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0748 0.143
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0207 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0207 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.2046 0.2046
Brugia malayi hypothetical protein 0.0044 0.0619 0.0619
Echinococcus multilocularis protein patched 0.0051 0.0748 0.143
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0006 0.0006
Onchocerca volvulus 0.0012 0.0006 0.0006
Trichomonas vaginalis beta-hexosaminidase B, putative 0.0066 0.1038 0.3476
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0207 0.0207
Schistosoma mansoni ap endonuclease 0.0023 0.0207 0.0994
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0006 0.0012
Loa Loa (eye worm) hypothetical protein 0.0062 0.0968 0.0968
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0006 0.0012
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1235 0.5936
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0006 0.0029
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0006 0.0012
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0207 1
Trichomonas vaginalis beta-hexosaminidase, putative 0.0066 0.1038 0.3476
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0006 0.0006
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0006 0.0012
Loa Loa (eye worm) RNA binding protein 0.0076 0.1235 0.1235
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0286 0.5233 0.5233
Echinococcus multilocularis expressed conserved protein 0.0112 0.1908 0.3646
Echinococcus granulosus GPCR family 2 0.0019 0.0137 0.0262
Echinococcus multilocularis Protein lozenge 0.0067 0.1056 0.2017
Schistosoma mansoni beta-hexosaminidase B 0.0022 0.0192 0.0921
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0022 0.0192 0.0192
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0006 0.0006
Echinococcus multilocularis beta D xylosidase 2 0.0022 0.0198 0.0379
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0118 0.0118
Schistosoma mansoni hypothetical protein 0.0022 0.0198 0.0952

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 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) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 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) = 35.4813 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) 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
Potency (functional) 100 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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