Detailed information for compound 1782461

Basic information

Technical information
  • TDR Targets ID: 1782461
  • Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)thiophe ne-3-carboxylate
  • MW: 291.322 | Formula: C14H13NO4S
  • H donors: 1 H acceptors: 1 LogP: 3.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(N)scc1c1ccc2c(c1)OCO2
  • InChi: 1S/C14H13NO4S/c1-2-17-14(16)12-9(6-20-13(12)15)8-3-4-10-11(5-8)19-7-18-10/h3-6H,2,7,15H2,1H3
  • InChiKey: WVUMZXGXSXTSDX-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-amino-4-(1,3-benzodioxol-5-yl)-3-thiophenecarboxylic acid ethyl ester
  • 2-amino-4-(1,3-benzodioxol-5-yl)thiophene-3-carboxylic acid ethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase C, iota Starlite/ChEMBL References
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus protein kinase c iota type Get druggable targets OG5_131830 All targets in OG5_131830
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis protein kinase c iota type Get druggable targets OG5_131830 All targets in OG5_131830
Brugia malayi protein kinase C3,putative Get druggable targets OG5_131830 All targets in OG5_131830
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K06069 atypical protein kinase C, putative Get druggable targets OG5_131830 All targets in OG5_131830
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni atypical protein kinase C Get druggable targets OG5_131830 All targets in OG5_131830
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase Get druggable targets OG5_131830 All targets in OG5_131830

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi cytochrome P450, putative 0.0051 0.3758 1
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0881 0.0881
Onchocerca volvulus 0.0007 0.0001 0.0429
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0129 0.0129
Schistosoma mansoni serine/threonine protein kinase 0.001 0.0258 0.0258
Brugia malayi Cytochrome P450 family protein 0.0051 0.3758 0.4413
Loa Loa (eye worm) AGC/AKT protein kinase 0.001 0.0258 0.0282
Brugia malayi Hr1 repeat family protein 0.001 0.0258 0.0303
Trichomonas vaginalis AGC family protein kinase 0.001 0.0258 0.0461
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0129 0.0129
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.3178 0.3733
Loa Loa (eye worm) AGC/PKN protein kinase 0.001 0.0258 0.0282
Brugia malayi Cytochrome P450 family protein 0.0051 0.3758 0.4413
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0129 0.0129
Trichomonas vaginalis AGC family protein kinase 0.001 0.0258 0.0461
Trichomonas vaginalis AGC family protein kinase 0.001 0.0258 0.0461
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0478 0.051
Brugia malayi Cytochrome P450 family protein 0.0051 0.3758 0.4413
Echinococcus multilocularis serine:threonine protein kinase N2 0.001 0.0258 0.0275
Toxoplasma gondii AGC kinase 0.001 0.0258 0.0687
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0881 0.0881
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0051 0.3758 0.5
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0008 0.0019 0.002
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.001 0.0258 0.0275
Echinococcus multilocularis serine:threonine protein kinase 38 0.001 0.0258 0.0275
Brugia malayi Protein kinase domain containing protein 0.0008 0.002 0.0023
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0001
Entamoeba histolytica protein kinase, putative 0.001 0.0258 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0129 0.0138
Echinococcus multilocularis serine threonine protein kinase 0.001 0.0258 0.0275
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0051 0.3758 0.5
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0051 0.3758 0.5
Brugia malayi Cyclic-nucleotide gated cation channel 0.0009 0.0129 0.0152
Schistosoma mansoni cytochrome P450 0.0051 0.3758 0.3758
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0478 0.051
Loa Loa (eye worm) hypothetical protein 0.0009 0.0129 0.0141
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0051 0.3758 0.5
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0129 0.0138
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0051 0.3758 0.5
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.001 0.0258 0.0282
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0051 0.3758 0.5
Schistosoma mansoni protein kinase C mu 0.0008 0.0019 0.0019
Echinococcus multilocularis protein kinase c epsilon type 0.0018 0.0881 0.094
Loa Loa (eye worm) hypothetical protein 0.0039 0.2676 0.2929
Schistosoma mansoni serine/threonine protein kinase 0.0008 0.0019 0.0019
Echinococcus granulosus protein kinase C gamma type 0.001 0.0258 0.0275
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0051 0.3758 1
Brugia malayi Protein kinase domain containing protein 0.001 0.0258 0.0303
Trichomonas vaginalis AGC family protein kinase 0.001 0.0258 0.0461
Leishmania major cytochrome p450-like protein 0.0051 0.3758 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0051 0.3758 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0478 0.0478
Schistosoma mansoni voltage-gated potassium channel 0.0009 0.0129 0.0129
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0051 0.3758 0.5
Schistosoma mansoni serine/threonine protein kinase 0.001 0.0258 0.0258
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.2928 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0129 0.0141
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0009 0.0129 0.0138
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0051 0.3758 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0478 0.0478
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.2928 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0051 0.3758 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0258 0.0282
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.001 0.0258 0.0275
Trypanosoma cruzi cytochrome P450, putative 0.0051 0.3758 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.001 0.0258 0.0282
Loa Loa (eye worm) hypothetical protein 0.0013 0.0478 0.0523
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.001 0.0258 0.0282
Trichomonas vaginalis AGC family protein kinase 0.001 0.0258 0.0461
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0051 0.3758 0.5
Brugia malayi Protein kinase domain containing protein 0.001 0.0258 0.0303
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0018 0.0881 0.0964
Toxoplasma gondii cytochrome p450 superfamily protein 0.0051 0.3758 1
Loa Loa (eye worm) PAR-6 protein 0.0007 0.0001 0.0001
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0051 0.3758 0.5
Loa Loa (eye worm) STE/STE11/MEKK2 protein kinase 0.0008 0.002 0.0022
Brugia malayi protein kinase C3,putative 0.0107 0.8514 1
Schistosoma mansoni serine/threonine protein kinase 0.001 0.0258 0.0258
Echinococcus granulosus NDR protein kinase 0.001 0.0258 0.0275
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0129 0.0129
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0051 0.3758 1
Leishmania major cytochrome p450-like protein 0.0051 0.3758 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.001 0.0258 0.0282
Trypanosoma brucei cytochrome P450, putative 0.0051 0.3758 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0129 0.0129
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0051 0.3758 0.5
Echinococcus multilocularis protein TFG 0.0007 0.0001 0.0001
Echinococcus multilocularis serine:threonine protein kinase N2 0.001 0.0258 0.0275
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0008 0.0019 0.002
Echinococcus multilocularis protein kinase c iota type 0.0117 0.9376 1
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0114 0.9138 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0018 0.0881 0.094
Brugia malayi cytochrome P450 0.0051 0.3758 0.4413
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.001 0.0258 0.0282
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0051 0.3758 0.5
Loa Loa (eye worm) CYP4Cod1 0.0051 0.3758 0.4112
Entamoeba histolytica hypothetical protein, conserved 0.0007 0.0001 0.0033
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0129 0.0138
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0051 0.3758 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0051 0.3758 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0051 0.3758 0.5
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0129 0.0138
Schistosoma mansoni hypothetical protein 0.0051 0.3758 0.3758
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.3758 0.4112
Trichomonas vaginalis AGC family protein kinase 0.001 0.0258 0.0461
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0051 0.3758 0.5
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0008 0.0019 0.0021
Echinococcus granulosus serine:threonine protein kinase N2 0.001 0.0258 0.0275
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0051 0.3758 0.5
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0051 0.3758 0.5
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0478 0.051
Echinococcus multilocularis 0.0051 0.3758 0.4008
Entamoeba histolytica protein kinase, putative 0.001 0.0258 1
Schistosoma mansoni serine/threonine protein kinase 0.001 0.0258 0.0258
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0051 0.3758 0.5
Trypanosoma brucei rac serine-threonine kinase, putative 0.001 0.0258 0.0685
Leishmania major cytochrome p450-like protein 0.0051 0.3758 1
Echinococcus granulosus protein TFG 0.0007 0.0001 0.0001
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0051 0.3758 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0478 0.051
Entamoeba histolytica protein kinase, putative 0.001 0.0258 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0051 0.3758 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0008 0.0019 0.0019
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0051 0.3758 0.5
Brugia malayi Cytochrome P450 family protein 0.0051 0.3758 0.4413
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0051 0.3758 0.5
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.001 0.0258 0.0275
Loa Loa (eye worm) cytochrome P450 0.0051 0.3758 0.4112
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0051 0.3758 0.5
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0009 0.0129 0.0138
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.3758 0.4112
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.3178 0.3389
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0051 0.3758 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0051 0.3758 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0478 0.0562
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.001 0.0258 0.0275
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0051 0.3758 0.5
Echinococcus granulosus protein kinase c epsilon type 0.0018 0.0881 0.094
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0051 0.3758 0.5
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0051 0.3758 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0051 0.3758 0.5
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0051 0.3758 0.5
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0051 0.3758 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0129 0.0138
Loa Loa (eye worm) zinc finger protein 0.0007 0.0001 0.0001
Trichomonas vaginalis AGC family protein kinase 0.001 0.0258 0.0461
Trichomonas vaginalis AGC family protein kinase 0.001 0.0258 0.0461
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0051 0.3758 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0009 0.0129 0.0138
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0009 0.0129 0.0138
Echinococcus granulosus protein kinase c iota type 0.0117 0.9376 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.3178 0.3389
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.001 0.0258 0.0275
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0129 0.0138
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0881 0.0881
Brugia malayi C1-like domain containing protein 0.0008 0.0019 0.0022
Echinococcus granulosus cytochrome P450 2K1 0.0051 0.3758 0.4008
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0051 0.3758 0.5
Brugia malayi Partitioning defective-6 homolog alpha 0.0007 0.0001 0.0001
Trichomonas vaginalis AGC family protein kinase 0.001 0.0258 0.0461
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0051 0.3758 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0018 0.0881 0.094
Trichomonas vaginalis AGC family protein kinase 0.001 0.0258 0.0461
Brugia malayi Protein kinase c protein 2 0.0008 0.0019 0.0022
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0051 0.3758 0.5
Onchocerca volvulus 0.0008 0.002 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0009 0.0129 0.0138
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0051 0.3758 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0051 0.3758 0.5
Brugia malayi Protein kinase domain containing protein 0.001 0.0258 0.0303
Mycobacterium leprae putative cytochrome p450 0.0051 0.3758 0.5
Trichomonas vaginalis AGC family protein kinase 0.001 0.0258 0.0461
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0051 0.3758 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.3527 0.3527
Schistosoma mansoni cell polarity protein 0.0007 0.0001 0.0001
Brugia malayi Protein kinase domain containing protein 0.0008 0.0019 0.0022
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.3527 0.3527
Brugia malayi protein kinase C II. 0.0018 0.0881 0.1035
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.3178 0.3478
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0051 0.3758 0.5
Echinococcus multilocularis partitioning defective protein 6 0.0007 0.0001 0.0001
Onchocerca volvulus Protein TFG homolog 0.0007 0.0001 0.0429
Schistosoma mansoni serine/threonine kinase 0.001 0.0258 0.0258
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0051 0.3758 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0051 0.3758 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0051 0.3758 0.5
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.001 0.0258 0.0275
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0129 0.0141
Brugia malayi p70 ribosomal S6 kinase beta 0.001 0.0258 0.0303
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.001 0.0239 0.0393
Entamoeba histolytica protein kinase, putative 0.001 0.0258 1
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0008 0.0019 0.0022
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.3758 0.4112

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.002 uM Inhibition of atypical PKCzeta in HEK293 cells assessed as TNF-induced NFkappaB activation incubated for 3 hrs prior to TNF induction measured after 5 hrs by bright-glo luciferase reporter gene assay ChEMBL. 23566515
IC50 (binding) = 2000 nM BindingDB_Patents: Luminescence-Based Kinase Assay. IC50 values were determined using an in vitro luminescence-based kinase assay against aPKC¿ to elucidate a pharmacophore. The IC50 values determined for isopropyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (also referred to as PKCl-diMeO, PKC¿l-diMeO, or PKCzl3), and compounds described herein and illustrated in FIGS. 1, 3, and 7 are described in Table 1. The IC50 values were determined using an ADP Quest assay with 500 ng/ml aPKC¿, 10 µM CREBtide, and 10 µM ATP. In PKC¿ kinase activity assays using 30 µM of candidate compound, PKCl-diMeO and the compounds illustrated in FIG. 7 resulted in a 55-100% inhibition in kinase activity. ChEMBL. No reference
IC50 (binding) = 2000 nM BindingDB_Patents: Luminescence-Based Kinase Assay. IC50 values were determined using an in vitro luminescence-based kinase assay against aPKC¿ to elucidate a pharmacophore. The IC50 values determined for isopropyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (also referred to as PKCl-diMeO, PKC¿l-diMeO, or PKCzl3), and compounds described herein and illustrated in FIGS. 1, 3, and 7 are described in Table 1. The IC50 values were determined using an ADP Quest assay with 500 ng/ml aPKC¿, 10 µM CREBtide, and 10 µM ATP. In PKC¿ kinase activity assays using 30 µM of candidate compound, PKCl-diMeO and the compounds illustrated in FIG. 7 resulted in a 55-100% inhibition in kinase activity. ChEMBL. No reference
IC50 (binding) = 2 uM Inhibition of atypical PKCiota (unknown origin) using CREBtide as substrate incubated for 1 hr measured every 2.5 mins by ADP Quest assay ChEMBL. 23566515
IC50 (binding) = 2 uM Inhibition of atypical PKCzeta (unknown origin) using CREBtide as substrate incubated for 1 hr measured every 2.5 mins by ADP Quest assay ChEMBL. 23566515
IC50 (binding) > 10 uM Inhibition of human ERG ChEMBL. 23566515
Inhibition (binding) = 34 % Inhibition of atypical PKCzeta in HEK293 cells assessed as TNF-induced NFkappaB activation at 0.1 uM incubated for 3 hrs prior to TNF induction measured after 5 hrs by bright-glo luciferase reporter gene assay relative to control ChEMBL. 23566515
Inhibition (binding) = 100 % Inhibition of atypical PKCzeta (unknown origin) using CREBtide as substrate at 30 uM incubated for 1 hr measured every 2.5 mins by ADP Quest assay relative to control ChEMBL. 23566515

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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