Detailed information for compound 1401205

Basic information

Technical information
  • TDR Targets ID: 1401205
  • Name: (2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfon ylamino]-2-phenylacetate
  • MW: 449.476 | Formula: C24H19NO6S
  • H donors: 1 H acceptors: 4 LogP: 4.41 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)Oc1ccc2c(c1)oc(=O)cc2
  • InChi: 1S/C24H19NO6S/c1-16-7-12-20(13-8-16)32(28,29)25-23(18-5-3-2-4-6-18)24(27)30-19-11-9-17-10-14-22(26)31-21(17)15-19/h2-15,23,25H,1H3
  • InChiKey: CALAKCFBSGTYPW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenyl-acetate
  • 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid (2-oxo-7-chromenyl) ester
  • 2-[(4-methylphenyl)sulfonylamino]-2-phenyl-acetic acid (2-ketochromen-7-yl) ester
  • (2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenyl-ethanoate
  • MLS000588021
  • Phenyl-(toluene-4-sulfonylamino)-acetic acid 2-oxo-2H-chromen-7-yl ester
  • SMR000211947
  • STOCK1S-28652

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.2988 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0018 0.0174 0.0248
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0203 0.6968 0.5
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0174 0.0014
Loa Loa (eye worm) hypothetical protein 0.0099 0.3156 0.3615
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0203 0.6968 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0018 0.0174 0.0248
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0851 0.1213
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0174 0.0014
Leishmania major sterol 24-c-methyltransferase, putative 0.0203 0.6968 1
Onchocerca volvulus 0.0036 0.0851 0.0777
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0851 0.1213
Echinococcus granulosus RNA directed DNA polymerase 0.0081 0.2495 0.3553
Entamoeba histolytica protein kinase, putative 0.0018 0.0174 0.5
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0203 0.6968 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.008 0.0092
Schistosoma mansoni unc-13 (munc13) 0.0015 0.008 0.0115
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0018 0.0174 0.0248
Echinococcus multilocularis serine:threonine protein kinase N2 0.0018 0.0174 0.0248
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0174 0.0014
Echinococcus granulosus protein kinase c epsilon type 0.0033 0.0723 0.1029
Entamoeba histolytica protein kinase, putative 0.0018 0.0174 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2215 1
Schistosoma mansoni protein kinase C 0.0015 0.008 0.0115
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0033 0.0723 0.0828
Brugia malayi Protein kinase c protein 2 0.0096 0.3057 0.3502
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.3685 0.5249
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0015 0.008 0.0115
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0174 0.0014
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0851 0.1213
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0174 0.0014
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0851 0.1213
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0174 0.0014
Loa Loa (eye worm) hypothetical protein 0.0081 0.2495 0.2858
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0174 0.0248
Echinococcus granulosus geminin 0.0205 0.702 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2215 0.7254
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0174 0.0014
Echinococcus multilocularis geminin 0.0205 0.702 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0174 0.02
Entamoeba histolytica protein kinase, putative 0.0018 0.0174 0.5
Brugia malayi Protein kinase domain containing protein 0.0018 0.0174 0.02
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0099 0.3156 0.3615
Brugia malayi Pre-SET motif family protein 0.0251 0.8729 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0851 0.0975
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.3685 0.5249
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0174 0.0248
Echinococcus multilocularis RNA directed DNA polymerase 0.0081 0.2495 0.3553
Echinococcus granulosus protein kinase c iota type 0.003 0.0628 0.0895
Echinococcus granulosus NDR protein kinase 0.0018 0.0174 0.0248
Loa Loa (eye worm) hypothetical protein 0.0094 0.2988 0.3423
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.2988 0.5
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0084 0.2603 0.2982
Loa Loa (eye worm) AGC/NDR protein kinase 0.0018 0.0174 0.02
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0018 0.0174 0.0248
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.1797 0.256
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.2988 0.5
Echinococcus granulosus protein kinase C gamma type 0.0101 0.3231 0.4602
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0018 0.0174 0.02
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0018 0.0174 0.02
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.1797 0.4744
Echinococcus granulosus serine:threonine protein kinase N2 0.0018 0.0174 0.0248
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0851 0.1213
Echinococcus multilocularis unc 13 (munc13) 0.0015 0.008 0.0115
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.2988 1
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0174 0.0014
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.2988 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.2988 1
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0174 0.0248
Echinococcus multilocularis serine:threonine protein kinase N2 0.0018 0.0174 0.0248
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.2988 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8729 1
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0174 0.0014
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.2988 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0018 0.0174 0.02
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2215 0.3156
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0174 0.0248
Echinococcus granulosus Protein kinase C brain isozyme 0.0113 0.3685 0.5249
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0203 0.6968 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.702 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2215 0.3156
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.2988 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.2988 0.5
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0106 0.341 0.4763
Plasmodium vivax SET domain protein, putative 0.0036 0.0851 0.0568
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0851 0.1213
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0018 0.0174 0.02
Brugia malayi Protein kinase domain containing protein 0.0018 0.0174 0.02
Brugia malayi p70 ribosomal S6 kinase beta 0.0018 0.0174 0.02
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0015 0.008 0.0115
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2215 0.3156
Loa Loa (eye worm) hypothetical protein 0.0093 0.2949 0.3378
Leishmania major sterol 24-c-methyltransferase, putative 0.0203 0.6968 1
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0018 0.0174 0.0248
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0803 0.1143
Entamoeba histolytica protein kinase, putative 0.0018 0.0174 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.2988 0.4256
Echinococcus multilocularis protein kinase c epsilon type 0.0033 0.0723 0.1029
Echinococcus multilocularis serine threonine protein kinase 0.0101 0.3231 0.4602
Brugia malayi Hr1 repeat family protein 0.0018 0.0174 0.02
Brugia malayi Probable ClpP-like protease 0.0094 0.2988 0.3423
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0203 0.6968 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.1797 0.256
Loa Loa (eye worm) AGC/AKT protein kinase 0.0018 0.0174 0.02
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0018 0.0174 0.0248
Toxoplasma gondii hypothetical protein 0.0033 0.0723 0.1949
Schistosoma mansoni serine/threonine kinase 0.0018 0.0174 0.0248
Brugia malayi Pre-SET motif family protein 0.0036 0.0851 0.0975
Schistosoma mansoni hypothetical protein 0.0205 0.702 1
Echinococcus granulosus unc 13 munc13 0.0015 0.008 0.0115
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0723 0.1029
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0081 0.2495 0.3553
Trypanosoma brucei Sterol methyltransferase, putative 0.0203 0.6968 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.2988 0.4256
Echinococcus multilocularis protein kinase c iota type 0.003 0.0628 0.0895
Loa Loa (eye worm) AGC/PKN protein kinase 0.0018 0.0174 0.02
Schistosoma mansoni unc-13 (munc13) 0.0015 0.008 0.0115
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0174 0.0014
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0018 0.0174 0.0248
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2215 0.3156
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.2988 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.2988 0.4256
Brugia malayi Protein kinase domain containing protein 0.0018 0.0174 0.02
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0851 0.1213
Schistosoma mansoni atypical protein kinase C 0.003 0.0628 0.0895
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0851 0.2406
Brugia malayi protein kinase C II. 0.0033 0.0723 0.0828
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0174 0.0014
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0113 0.3685 0.5249

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 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) 3.1623 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 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) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 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) 100 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: 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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