Detailed information for compound 649609

Basic information

Technical information
  • TDR Targets ID: 649609
  • Name: 8-methoxy-3-[2-(4-methylphenyl)-2-oxoethoxy]b enzo[c]isochromen-6-one
  • MW: 374.386 | Formula: C23H18O5
  • H donors: 0 H acceptors: 2 LogP: 4.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OCC(=O)c1ccc(cc1)C
  • InChi: 1S/C23H18O5/c1-14-3-5-15(6-4-14)21(24)13-27-17-8-10-19-18-9-7-16(26-2)11-20(18)23(25)28-22(19)12-17/h3-12H,13H2,1-2H3
  • InChiKey: UTCBTSFJKOPWAA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8-methoxy-3-[2-(4-methylphenyl)-2-oxo-ethoxy]benzo[c]isochromen-6-one
  • 8-methoxy-3-[2-(4-methylphenyl)-2-oxoethoxy]-6-benzo[c]isochromenone
  • 3-[2-keto-2-(4-methylphenyl)ethoxy]-8-methoxy-benzo[c]isochromen-6-one
  • ZINC01184576

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.043 0.1117
Schistosoma mansoni patched 1 0.0046 0.0334 0.178
Brugia malayi Muscleblind-like protein 0.0162 0.1681 0.437
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.121 1
Schistosoma mansoni hypothetical protein 0.0051 0.0393 0.2095
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0211 0.1745
Loa Loa (eye worm) hypothetical protein 0.0025 0.0088 0.0228
Mycobacterium ulcerans pyruvate kinase 0.0035 0.0211 0.118
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0103 0.0991 0.3672
Schistosoma mansoni hypothetical protein 0.0017 0.0001 0.0006
Loa Loa (eye worm) hypothetical protein 0.0037 0.0231 0.0601
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0378 0.2014
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0103 0.0991 0.0991
Brugia malayi CHE-14 protein 0.0046 0.0334 0.0868
Schistosoma mansoni hypothetical protein 0.0044 0.0315 0.1678
Loa Loa (eye worm) hypothetical protein 0.0046 0.0334 0.0868
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0378 0.1401
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 0.3478 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0101 0.0479
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0101 0.0262
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0122 0.121 1
Brugia malayi tumor suppressor. 0.035 0.3847 1
Toxoplasma gondii pyruvate kinase PyK1 0.0035 0.0211 1
Toxoplasma gondii pyruvate kinase PyKII 0.0018 0.0012 0.0586
Echinococcus granulosus pyruvate kinase 0.0018 0.0012 0.0046
Schistosoma mansoni hypothetical protein 0.0017 0.0001 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 0.3478 1
Trypanosoma brucei calpain, putative 0.0122 0.121 1
Schistosoma mansoni hypothetical protein 0.0017 0.0001 0.0006
Giardia lamblia Fructose-bisphosphate aldolase 0.0318 0.3478 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.0101 0.0479
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0122 0.121 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.0211 0.0549
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 0.3478 1
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0547 0.0547
Echinococcus multilocularis pyruvate kinase 0.0018 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0044 0.0315 0.1678
Loa Loa (eye worm) hypothetical protein 0.0162 0.1681 0.437
Trypanosoma brucei hypothetical protein 0.0122 0.121 1
Echinococcus granulosus pyruvate kinase 0.0018 0.0012 0.0046
Echinococcus granulosus geminin 0.0179 0.1877 0.6959
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0547 0.2916
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.0991 0.5277
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0066
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.043 0.1117
Echinococcus multilocularis muscleblind protein 0.0162 0.1681 0.1681
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0101 0.0479
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0211 0.1239
Echinococcus granulosus protein quaking 0.003 0.0145 0.0537
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0991 0.2386
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0066
Onchocerca volvulus 0.0051 0.0393 0.3286
Loa Loa (eye worm) hypothetical protein 0.0026 0.0101 0.0262
Schistosoma mansoni kinase 0.0052 0.0406 0.2165
Echinococcus multilocularis geminin 0.0179 0.1877 0.1877
Echinococcus granulosus muscleblind protein 0.0162 0.1681 0.6232
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0991 0.2386
Brugia malayi serine/threonine-protein kinase plk-2 0.0103 0.0991 0.2575
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0122 0.121 1
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0211 0.1239
Echinococcus multilocularis muscleblind protein 1 0.0162 0.1681 0.1681
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0991 0.2386
Schistosoma mansoni hypothetical protein 0.0037 0.0231 0.1232
Echinococcus multilocularis pyruvate kinase 0.0035 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.003 0.0145 0.0377
Schistosoma mansoni hypothetical protein 0.0179 0.1877 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0103 0.0991 0.2663
Schistosoma mansoni pyruvate kinase 0.0018 0.0012 0.0066
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0101 0.0262
Trypanosoma brucei polo-like protein kinase 0.0103 0.0991 0.8187
Echinococcus multilocularis pyruvate kinase 0.0018 0.0012 0.0012
Trypanosoma brucei pyruvate kinase 1, putative 0.0035 0.0211 0.1745
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0547 0.1423
Echinococcus multilocularis lysine specific demethylase 5A 0.0064 0.0542 0.0542
Echinococcus granulosus hypothetical protein 0.003 0.0145 0.0537
Plasmodium falciparum pyruvate kinase 0.0035 0.0211 1
Echinococcus granulosus pyruvate kinase 0.0035 0.0211 0.0783
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.2698 0.2698
Schistosoma mansoni hypothetical protein 0.0017 0.0001 0.0006
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0391 0.055
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0026 0.121
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0101 0.0479
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0211 0.0549
Echinococcus granulosus GPCR family 2 0.0017 0.0001 0.0004
Echinococcus granulosus pyruvate kinase 0.0018 0.0012 0.0046
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0122 0.121 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0101 0.0552
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0378 0.0378
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0991 0.2386
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0101 0.0479
Loa Loa (eye worm) hypothetical protein 0.0026 0.0101 0.0262
Plasmodium vivax pyruvate kinase 2, putative 0.0018 0.0012 0.0586
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0101 0.0262
Schistosoma mansoni pyruvate kinase 0.0035 0.0211 0.1125
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0066
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0122 0.121 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0211 0.0549
Echinococcus multilocularis protein dispatched 1 0.0052 0.0409 0.0409
Schistosoma mansoni hypothetical protein 0.0179 0.1877 1
Echinococcus granulosus lysine specific demethylase 5A 0.0064 0.0542 0.2011
Schistosoma mansoni hypothetical protein 0.0044 0.0315 0.1678
Trypanosoma brucei calpain-like protein, putative 0.0122 0.121 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.0035 0.0211 0.0736
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0547 0.2916
Brugia malayi Niemann-Pick C1 protein precursor 0.0107 0.1041 0.2706
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0064 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.025 0.2698 0.7013
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 0.3478 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0542 0.2889
Brugia malayi Temporarily assigned gene name protein 44 0.003 0.0145 0.0377
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0101 0.0039
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.121 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0155 0.1598 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0035 0.0211 0.1248
Echinococcus multilocularis protein quaking 0.003 0.0145 0.0145
Echinococcus multilocularis expressed conserved protein 0.0101 0.0966 0.0966
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0122 0.121 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.0547 0.2029
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 0.3478 1
Brugia malayi jmjC domain containing protein 0.0064 0.0542 0.141
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0378 0.0983
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0547 0.2916
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0001 0.0001
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0101 0.0039
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0378 0.1401
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0109 0.106 0.5647
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0101 0.0479
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0211 0.0549
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0001 0.0004
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0547 0.1423
Schistosoma mansoni hypothetical protein 0.003 0.0145 0.0772
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0001 0.0003
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0318 0.3478 1
Brugia malayi hypothetical protein 0.003 0.0145 0.0377
Echinococcus multilocularis protein patched 0.0046 0.0334 0.0334
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0107 0.1041 0.2811
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 0.3478 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.121 1
Echinococcus granulosus expressed conserved protein 0.0101 0.0966 0.358
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.0991 0.8187
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.0991 0.8187
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0542 0.141
Giardia lamblia Kinase, PLK 0.0103 0.0991 0.2823
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.121 1
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0991 0.2386
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0378 0.0378
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0001 0.0004
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0101 0.0834
Loa Loa (eye worm) pyruvate kinase-PB 0.0025 0.0088 0.0228
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0122 0.121 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.1681 0.437
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.0334 0.0868
Loa Loa (eye worm) tumor suppressor 0.035 0.3847 1
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0547 0.1423
Schistosoma mansoni hypothetical protein 0.0044 0.0315 0.1678
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0378 0.2014
Schistosoma mansoni survival motor neuron protein 0.0051 0.0393 0.2095
Loa Loa (eye worm) hypothetical protein 0.0054 0.043 0.1117
Echinococcus granulosus Protein patched homolog 1 0.0046 0.0334 0.1238
Schistosoma mansoni hypothetical protein 0.003 0.0145 0.0772
Loa Loa (eye worm) RNA binding protein 0.0064 0.0547 0.1423
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0211 0.0549
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0103 0.0991 0.2575
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0101 0.0039
Plasmodium vivax pyruvate kinase, putative 0.0035 0.0211 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.043 0.1117
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0101 0.0834
Trypanosoma brucei pyruvate kinase 1 0.0035 0.0211 0.1745
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0378 0.0983
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0101 0.0552
Echinococcus granulosus survival motor neuron protein 1 0.025 0.2698 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0101 0.0479
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0391 0.055
Echinococcus multilocularis Niemann Pick C1 protein 0.0107 0.1041 0.1041
Echinococcus granulosus Niemann Pick C1 protein 0.0107 0.1041 0.3858
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0101 0.0834
Brugia malayi hypothetical protein 0.025 0.2698 0.7013
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0231 0.0601
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0001 0.0001
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0001 0.0003
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0122 0.121 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0454 0.1179
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.121 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0122 0.121 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0001 0.0003
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0026 0.0077
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0066
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0318 0.3478 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0153 0.1572 0.1572
Onchocerca volvulus Serine\/threonine kinase homolog 0.0103 0.0991 1
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0211 0.1239
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 0.3478 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0542 0.2889
Echinococcus multilocularis GPCR, family 2 0.0017 0.0001 0.0001
Schistosoma mansoni pyruvate kinase 0.0035 0.0211 0.1125
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0211 0.1745
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0155 0.1598 1
Plasmodium falciparum pyruvate kinase 2 0.0018 0.0012 0.0586
Treponema pallidum fructose-bisphosphate aldolase 0.0318 0.3478 0.5
Schistosoma mansoni jumonji domain containing protein 0.0064 0.0542 0.2889
Echinococcus multilocularis pyruvate kinase 0.0028 0.0125 0.0125
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0026 0.121
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0378 0.2014
Loa Loa (eye worm) hypothetical protein 0.0017 0.0001 0.0003
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0101 0.0479
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0547 0.2916
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.0334 0.1238
Echinococcus granulosus pyruvate kinase 0.0035 0.0211 0.0783
Loa Loa (eye worm) hypothetical protein 0.0026 0.0101 0.0262
Brugia malayi jmjC domain containing protein 0.0064 0.0542 0.141
Brugia malayi RNA binding protein 0.0064 0.0547 0.1423
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0066
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0155 0.1598 1
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0991 0.2386
Leishmania major pyruvate kinase 0.0035 0.0211 0.1745
Leishmania major pyruvate kinase 0.0035 0.0211 0.1745
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.0211 0.0549
Chlamydia trachomatis pyruvate kinase 0.0035 0.0211 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0547 0.2916
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0064 0.0542 0.2011
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0393 0.1022
Giardia lamblia Pyruvate kinase 0.0035 0.0211 0.0574
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0334 0.0376
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0991 0.2386
Echinococcus multilocularis pyruvate kinase 0.0018 0.0012 0.0012
Brugia malayi TAR-binding protein 0.0064 0.0547 0.1423
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0103 0.0991 0.8187
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0318 0.3478 1
Echinococcus granulosus Niemann Pick C1 protein 0.0153 0.1572 0.5828
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0122 0.121 1
Echinococcus multilocularis pyruvate kinase 0.0035 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0107 0.1041 0.2706

Activities

No activities found for this compound.

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.
 
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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