Detailed information for compound 546925

Basic information

Technical information
  • TDR Targets ID: 546925
  • Name: 5,8-dihydroxy-3-methyl-9H-benzo[f]isobenzofur an-4-one
  • MW: 230.216 | Formula: C13H10O4
  • H donors: 2 H acceptors: 3 LogP: 2.66 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(c2c1C(=O)c1c(C2)coc1C)O
  • InChi: 1S/C13H10O4/c1-6-11-7(5-17-6)4-8-9(14)2-3-10(15)12(8)13(11)16/h2-3,5,14-15H,4H2,1H3
  • InChiKey: TZUYDLKHNQUNKS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5,8-dihydroxy-3-methyl-9H-benzo[f][2]benzofuran-4-one
  • 5,8-dihydroxy-3-methyl-4-(9H)-naphtho(2,3-c)furanone
  • 5,8-dihydroxy-3-methyl-9H-benzo[f][2]benzoxol-4-one
  • 150045-18-4
  • 5,8-Dihydroxy-3-methyl-9H-naphtho[2,3-c]furan-4-one
  • NChemBio.2007.14-comp2
  • MS 444
  • MS-444

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ELAV like RNA binding protein 1 Starlite/ChEMBL References
Homo sapiens myosin light chain kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis serine:threonine protein kinase Get druggable targets OG5_133428 All targets in OG5_133428
Echinococcus multilocularis myosin light chain kinase, smooth muscle Get druggable targets OG5_133428 All targets in OG5_133428
Echinococcus granulosus myosin light chain kinase smooth muscle Get druggable targets OG5_133428 All targets in OG5_133428
Echinococcus granulosus serine:threonine protein kinase Get druggable targets OG5_133428 All targets in OG5_133428
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum CUGBP Elav-like family member 1 ELAV like RNA binding protein 1 326 aa 362 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major folate/biopterin transporter, putative 0.0014 0.0349 1
Brugia malayi Uncoordinated protein 104 0.0013 0.0273 0.0317
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Loa Loa (eye worm) RhoGEF domain-containing protein 0.0013 0.0273 0.0317
Entamoeba histolytica protein kinase, putative 0.0192 0.8069 0.9343
Echinococcus multilocularis myotubularin protein 13 0.0013 0.0273 0.0273
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.2594 0.4453
Echinococcus multilocularis titin 0.0008 0.0076 0.0076
Entamoeba histolytica protein kinase, putative 0.0014 0.0349 0.0091
Echinococcus multilocularis collagen type iv alpha 3 binding protein 0.0013 0.0273 0.0273
Echinococcus multilocularis serine:threonine protein kinase 38 0.0066 0.2594 0.2594
Schistosoma mansoni centaurin alpha 0.0013 0.0273 0.0468
Loa Loa (eye worm) uncoordinated protein 104 0.0013 0.0273 0.0317
Schistosoma mansoni dynamin 0.0013 0.0273 0.0468
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0066 0.2594 0.2594
Brugia malayi Cytohesin 3 0.0013 0.0273 0.0317
Echinococcus granulosus protein kinase C gamma type 0.0066 0.2594 0.2594
Entamoeba histolytica protein kinase 2, putative 0.0128 0.5276 0.5996
Brugia malayi PH domain containing protein 0.0013 0.0273 0.0317
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0128 0.5276 1
Schistosoma mansoni hypothetical protein 0.0013 0.0273 0.0468
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Echinococcus multilocularis type II inositol 3,4 bisphosphate 4 phosphatase 0.0013 0.0273 0.0273
Echinococcus granulosus titin 0.0008 0.0076 0.0076
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0141 0.5824 1
Entamoeba histolytica hypothetical protein 0.0014 0.0349 0.0091
Schistosoma mansoni titin 0.0008 0.0076 0.013
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Echinococcus multilocularis Ras associated and pleckstrin y 0.0013 0.0273 0.0273
Onchocerca volvulus 0.0017 0.0446 1
Leishmania major protein kinase, putative 0.0014 0.0349 1
Trypanosoma brucei serine/threonine-protein kinase NrkA 0.0014 0.0349 0.0091
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0066 0.2594 0.301
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0008 0.0076 0.0088
Entamoeba histolytica protein kinase, putative 0.0014 0.0349 0.0091
Schistosoma mansoni protein kinase 0.0074 0.2922 0.5018
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0064 0.2518 0.269
Echinococcus granulosus Rho GTPase activating protein 24 0.0013 0.0273 0.0273
Echinococcus multilocularis oxysterol binding protein 9 0.0013 0.0273 0.0273
Echinococcus multilocularis Rho GTPase activating protein 24 0.0013 0.0273 0.0273
Echinococcus multilocularis serine threonine protein kinase 0.0066 0.2594 0.2594
Onchocerca volvulus 0.0013 0.0273 0.6123
Trypanosoma brucei Serine/threonine-protein kinase NEK21, putative 0.0014 0.0349 0.0091
Schistosoma mansoni serine/threonine protein kinase 0.0008 0.0076 0.013
Onchocerca volvulus Putative neuronal RhoA GEF protein 0.0013 0.0273 0.6123
Echinococcus granulosus Pleckstrin y 0.0013 0.0273 0.0273
Echinococcus multilocularis nervana 2 0.0126 0.52 0.52
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0066 0.2594 0.2594
Brugia malayi PH domain containing protein 0.0013 0.0273 0.0317
Echinococcus granulosus Pleckstrin y 0.0013 0.0273 0.0273
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0014 0.0349 0.0137
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Loa Loa (eye worm) Plekhf2 protein 0.0013 0.0273 0.0317
Schistosoma mansoni goodpasture antigen-binding protein 0.0013 0.0273 0.0468
Echinococcus multilocularis Pleckstrin y 0.0013 0.0273 0.0273
Echinococcus multilocularis rac serine:threonine kinase 0.0141 0.5824 0.5824
Entamoeba histolytica protein kinase, putative 0.0205 0.8617 1
Entamoeba histolytica protein kinase, putative 0.0014 0.0349 0.0091
Echinococcus multilocularis pleckstrin y domain containing family A 0.0013 0.0273 0.0273
Schistosoma mansoni hypothetical protein 0.0013 0.0273 0.0468
Echinococcus multilocularis pdz domain containing protein 0.0013 0.0273 0.0273
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0126 0.52 0.52
Loa Loa (eye worm) hypothetical protein 0.0017 0.0446 0.0517
Echinococcus granulosus pdz domain containing protein 0.0013 0.0273 0.0273
Echinococcus granulosus serine/threonine protein kinase 0.0141 0.5824 0.5824
Schistosoma mansoni protein kinase 0.0074 0.2922 0.5018
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Schistosoma mansoni serine/threonine-protein kinase 0.0141 0.5824 1
Echinococcus multilocularis serine:threonine protein kinase 0.0237 1 1
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0014 0.0349 0.0137
Brugia malayi TBC domain containing protein 0.0013 0.0273 0.0317
Entamoeba histolytica protein kinase, putative 0.0205 0.8617 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0008 0.0076 0.0088
Echinococcus granulosus FERM and pleckstrin domain containing protein 0.0013 0.0273 0.0273
Entamoeba histolytica PH domain containing protein kinase, putative 0.0141 0.5824 0.6653
Echinococcus multilocularis Pleckstrin y 0.0013 0.0273 0.0273
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0014 0.0349 1
Brugia malayi GTP-ase activating protein for Arf containing protein 0.0013 0.0273 0.0317
Brugia malayi probable spectrin beta chain 0.0013 0.0273 0.0317
Trypanosoma cruzi Protein kinase B 0.0141 0.5824 1
Echinococcus granulosus ras specific guanine nucleotide releasing factor 0.0013 0.0273 0.0273
Entamoeba histolytica protein kinase, putative 0.0014 0.0349 0.0091
Trichomonas vaginalis AGC family protein kinase 0.0205 0.8617 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0066 0.2594 0.301
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Schistosoma mansoni atypical protein kinase C 0.0066 0.2594 0.4453
Echinococcus granulosus nervana 2 0.0126 0.52 0.52
Echinococcus multilocularis serine:threonine protein kinase N2 0.0066 0.2594 0.2594
Echinococcus multilocularis ras specific guanine nucleotide releasing factor 0.0013 0.0273 0.0273
Echinococcus granulosus protein kinase c epsilon type 0.0066 0.2594 0.2594
Brugia malayi Syntrophin-1 0.0014 0.0313 0.0364
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0014 0.0349 0.0137
Onchocerca volvulus Protein melted homolog 0.0013 0.0273 0.6123
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Brugia malayi PH domain containing protein 0.0013 0.0273 0.0317
Loa Loa (eye worm) cytohesin 3 0.0013 0.0273 0.0317
Plasmodium falciparum calcium-dependent protein kinase 7 0.0014 0.0349 0.0152
Onchocerca volvulus Abnormal cell migration protein 10 homolog 0.0013 0.0273 0.6123
Leishmania major serine/threonine-protein kinase a, putative 0.0014 0.0349 1
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.0014 0.0349 0.0091
Loa Loa (eye worm) AGC/AKT protein kinase 0.0205 0.8617 1
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0014 0.0349 0.0137
Schistosoma mansoni rho gtpase activating protein 0.0013 0.0273 0.0468
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0066 0.2594 0.301
Loa Loa (eye worm) syntrophin-1 0.0014 0.0313 0.0364
Echinococcus granulosus titin 0.0008 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Echinococcus granulosus pleckstrin y domain containing family A 0.0013 0.0273 0.0273
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0074 0.2922 0.2922
Echinococcus granulosus collagen type iv alpha 3 binding protein 0.0013 0.0273 0.0273
Schistosoma mansoni zinc finger protein 0.0013 0.0273 0.0468
Brugia malayi GTP-ase activating protein for Arf containing protein 0.0013 0.0273 0.0317
Loa Loa (eye worm) GTP-ase activating protein for Arf containing protein 0.0013 0.0273 0.0317
Brugia malayi PH domain containing protein 0.0013 0.0273 0.0317
Echinococcus granulosus Pleckstrin domain containing protein family B 0.0013 0.0273 0.0273
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0066 0.2594 0.2594
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0014 0.0349 0.0137
Echinococcus multilocularis Glutaredoxin protein 5 0.0126 0.52 0.52
Loa Loa (eye worm) GTP-ase activating protein for Arf containing protein 0.0013 0.0273 0.0317
Brugia malayi hypothetical protein 0.0013 0.0273 0.0317
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Brugia malayi Dynamin 0.0013 0.0273 0.0317
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0008 0.0076 0.0088
Schistosoma mansoni hypothetical protein 0.0013 0.0273 0.0468
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0128 0.5276 0.5276
Brugia malayi PH domain containing protein 0.0013 0.0273 0.0317
Leishmania major protein kinase, putative 0.0014 0.0349 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0014 0.0349 0.0091
Trichomonas vaginalis AGC family protein kinase 0.0205 0.8617 1
Onchocerca volvulus 0.0013 0.0273 0.6123
Schistosoma mansoni syntrophin 0.0014 0.0313 0.0538
Echinococcus multilocularis PKC activated phosphatase 1 inhibitor 0.0017 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Schistosoma mansoni rhogef and pleckstrin domain protein 0.0013 0.0273 0.0468
Echinococcus granulosus oxysterol binding protein 9 0.0013 0.0273 0.0273
Echinococcus multilocularis nervana 2 0.0126 0.52 0.52
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Brugia malayi Oxysterol binding protein 0.0013 0.0273 0.0317
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Entamoeba histolytica p21-activated kinase 0.0014 0.0349 0.0091
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Echinococcus multilocularis FERM and pleckstrin domain containing protein 0.0013 0.0273 0.0273
Onchocerca volvulus Putative zinc finger protein 0.0013 0.0273 0.6123
Trypanosoma brucei rac serine-threonine kinase, putative 0.0205 0.8617 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0128 0.5276 0.9013
Echinococcus multilocularis serine:threonine protein kinase N2 0.0066 0.2594 0.2594
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Trichomonas vaginalis AGC family protein kinase 0.0066 0.2594 0.2781
Schistosoma mansoni oxysterol-binding protein 1 0.0013 0.0273 0.0468
Loa Loa (eye worm) AGC/NDR protein kinase 0.0066 0.2594 0.301
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Schistosoma mansoni oxysterol-binding protein 1 0.0013 0.0273 0.0468
Echinococcus multilocularis GRB2 associated binding protein 3 0.0013 0.0273 0.0273
Entamoeba histolytica PH domain containing protein kinase, putative 0.0014 0.0349 0.0091
Echinococcus granulosus cytohesin 1 0.0013 0.0273 0.0273
Entamoeba histolytica hypothetical protein 0.0014 0.0349 0.0091
Onchocerca volvulus 0.0013 0.0273 0.6123
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0128 0.5276 0.5276
Onchocerca volvulus 0.0008 0.0076 0.1704
Echinococcus granulosus Arf GAP and Pleckstrin domain containing protein 0.0013 0.0273 0.0273
Echinococcus granulosus DCC interacting protein 13 beta 0.0013 0.0273 0.0273
Echinococcus multilocularis Oxysterol binding protein 11 0.0013 0.0273 0.0273
Echinococcus granulosus arf GAP with coiled coil ANK repeat and PH 0.0013 0.0273 0.0273
Brugia malayi PH domain containing protein 0.0013 0.0273 0.0317
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0066 0.2594 0.301
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0126 0.52 0.52
Echinococcus multilocularis oxysterol binding protein 3 0.0013 0.0273 0.0273
Brugia malayi PH domain containing protein 0.0013 0.0273 0.0317
Echinococcus granulosus NDR protein kinase 0.0066 0.2594 0.2594
Echinococcus granulosus Glutaredoxin protein 5 0.0126 0.52 0.52
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0013 0.0273 0.0317
Entamoeba histolytica protein kinase, putative 0.0066 0.2594 0.2781
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0066 0.2594 0.2594
Echinococcus multilocularis actin binding protein anillin 0.0013 0.0273 0.0273
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0066 0.2594 0.301
Echinococcus granulosus Pleckstrin y 0.0013 0.0273 0.0273
Echinococcus granulosus PKC activated phosphatase 1 inhibitor 0.0017 0.0446 0.0446
Trichomonas vaginalis AGC family protein kinase 0.0079 0.3142 0.3438
Trichomonas vaginalis AGC family protein kinase 0.0066 0.2594 0.2781
Echinococcus multilocularis calcium dependent secretion activator 1 0.0013 0.0273 0.0273
Plasmodium vivax calcium-dependent protein kinase 7, putative 0.0014 0.0349 0.0152
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0014 0.0349 0.0137
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0192 0.8069 0.9364
Entamoeba histolytica PH domain containing protein kinase, putative 0.0014 0.0349 0.0091
Giardia lamblia Kinase, AGC PKA 0.0128 0.5276 0.5
Loa Loa (eye worm) CAMK protein kinase 0.0008 0.0076 0.0088
Echinococcus multilocularis oxysterol binding protein 1 0.0013 0.0273 0.0273
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.2594 0.4453
Brugia malayi Protein kinase domain containing protein 0.0066 0.2594 0.301
Schistosoma mansoni phosphoinositol 4-phosphate adaptor protein 0.0013 0.0273 0.0468
Brugia malayi protein kinase C II. 0.0066 0.2594 0.301
Echinococcus granulosus serine:threonine protein kinase 0.0237 1 1
Trichomonas vaginalis AGC family protein kinase 0.0066 0.2594 0.2781
Echinococcus multilocularis Pleckstrin domain containing protein, family B 0.0013 0.0273 0.0273
Echinococcus multilocularis myosin light chain kinase, smooth muscle 0.0237 1 1
Echinococcus granulosus calcium dependent secretion activator 1 0.0013 0.0273 0.0273
Schistosoma mansoni hypothetical protein 0.0013 0.0273 0.0468
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Loa Loa (eye worm) oxysterol binding protein 0.0013 0.0273 0.0317
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0014 0.0349 0.0137
Onchocerca volvulus 0.0013 0.0273 0.6123
Toxoplasma gondii protein kinase domain-containing protein 0.0014 0.0349 0.0097
Brugia malayi Variant SH3 domain containing protein 0.0013 0.0273 0.0317
Echinococcus granulosus myotubularin protein 13 0.0013 0.0273 0.0273
Brugia malayi MAX-1A 0.0013 0.0273 0.0317
Trypanosoma cruzi NIMA-related kinase, putative 0.0014 0.0349 0.0137
Schistosoma mansoni serine/threonine kinase 0.0066 0.2594 0.4453
Entamoeba histolytica PH domain containing protein kinase, putative 0.0014 0.0349 0.0091
Brugia malayi p70 ribosomal S6 kinase beta 0.0192 0.8069 0.9364
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0014 0.0349 1
Echinococcus multilocularis DCC interacting protein 13 beta 0.0013 0.0273 0.0273
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Brugia malayi Cadps2 protein 0.0013 0.0273 0.0317
Trypanosoma brucei NEK family Serine/threonine-protein kinase, putative 0.0014 0.0349 0.0091
Echinococcus granulosus oxysterol binding protein 1 0.0013 0.0273 0.0273
Schistosoma mansoni vav2 0.0013 0.0273 0.0468
Brugia malayi Plekhf2 protein 0.0013 0.0273 0.0317
Brugia malayi hypothetical protein 0.0017 0.0446 0.0517
Loa Loa (eye worm) PH domain-containing protein 0.0013 0.0273 0.0317
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.2594 0.4453
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0074 0.2922 0.2922
Echinococcus multilocularis protein kinase c iota type 0.0066 0.2594 0.2594
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.0014 0.0349 0.0091
Onchocerca volvulus 0.0013 0.0273 0.6123
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Echinococcus granulosus nervana 2 0.0126 0.52 0.52
Echinococcus granulosus serine threonine protein kinase nrc 0.0128 0.5276 0.5276
Echinococcus granulosus GRB2 associated binding protein 3 0.0013 0.0273 0.0273
Brugia malayi Protein kinase domain containing protein 0.0205 0.8617 1
Brugia malayi Hr1 repeat family protein 0.0066 0.2594 0.301
Trichomonas vaginalis AGC family protein kinase 0.0205 0.8617 1
Onchocerca volvulus 0.0013 0.0273 0.6123
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Entamoeba histolytica PH domain containing protein kinase, putative 0.0141 0.5824 0.6653
Echinococcus granulosus Protein kinase C brain isozyme 0.0066 0.2594 0.2594
Echinococcus multilocularis Pleckstrin y 0.0013 0.0273 0.0273
Brugia malayi PH domain containing protein 0.0013 0.0273 0.0317
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0066 0.2594 0.2594
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Loa Loa (eye worm) rho-GTPase-activating 0.0013 0.0273 0.0317
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Echinococcus multilocularis Arf GAP and Pleckstrin domain containing protein 0.0013 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0066 0.2594 0.301
Echinococcus granulosus oxysterol binding protein 3 0.0013 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Brugia malayi Protein kinase domain containing protein 0.0066 0.2594 0.301
Schistosoma mansoni zinc finger protein 0.0013 0.0273 0.0468
Schistosoma mansoni growth factor receptor-bound protein 0.0013 0.0273 0.0468
Schistosoma mansoni dynamin 0.0013 0.0273 0.0468
Echinococcus granulosus dynamin 1 0.0013 0.0273 0.0273
Brugia malayi Variant SH3 domain containing protein 0.0013 0.0273 0.0317
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0066 0.2594 0.2594
Echinococcus granulosus protein kinase c iota type 0.0066 0.2594 0.2594
Onchocerca volvulus outspread protein homolog 0.0013 0.0273 0.6123
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.2594 0.4453
Echinococcus multilocularis protein kinase c epsilon type 0.0066 0.2594 0.2594
Echinococcus granulosus Oxysterol binding protein 11 0.0013 0.0273 0.0273
Brugia malayi GTPase-activator protein for Ras-like GTPase containing protein 0.0013 0.0273 0.0317
Trypanosoma cruzi NIMA-related kinase, putative 0.0014 0.0349 0.0137
Schistosoma mansoni hypothetical protein 0.0013 0.0273 0.0468
Brugia malayi PH domain containing protein 0.0013 0.0273 0.0317
Echinococcus multilocularis arf GAP with coiled coil, ANK repeat and PH 0.0013 0.0273 0.0273
Toxoplasma gondii AGC kinase 0.0192 0.8069 1
Echinococcus multilocularis dynamin 1 0.0013 0.0273 0.0273
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.2594 0.4453
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Echinococcus granulosus serine:threonine protein kinase N2 0.0066 0.2594 0.2594
Schistosoma mansoni guanyl-nucleotide exchange factor 0.0013 0.0273 0.0468
Trichomonas vaginalis AGC family protein kinase 0.0205 0.8617 1
Toxoplasma gondii calcium dependent protein kinase CDPK7 0.0014 0.0349 0.0097
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0128 0.5276 1
Schistosoma mansoni protein phosphatase 1 inhibitor potentiated by protein kinase C 0.0017 0.0446 0.0765
Echinococcus multilocularis arf GAP with SH3 domain, ANK repeat and PH 0.0013 0.0273 0.0273
Echinococcus multilocularis beta 1 syntrophin 0.0014 0.0313 0.0313
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0066 0.2594 0.2594
Entamoeba histolytica protein kinase, putative 0.0014 0.0349 0.0091
Trichomonas vaginalis AGC family protein kinase 0.0205 0.8617 1
Brugia malayi Oxysterol-binding protein 0.0013 0.0273 0.0317
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Trichomonas vaginalis AGC family protein kinase 0.0014 0.0349 0.0091
Echinococcus granulosus arf GAP with SH3 domain ANK repeat and PH 0.0013 0.0273 0.0273
Brugia malayi Pleckstrin Homology Domain 0.0013 0.0273 0.0317
Schistosoma mansoni serine/threonine-protein kinase 0.0141 0.5824 1
Trypanosoma cruzi serine/threonine-protein kinase NRKB, putative 0.0014 0.0349 0.0137
Brugia malayi Dynamin 0.0013 0.0273 0.0317
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.2594 0.4453
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.0013 0.0273 0.0468
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.2594 0.4453
Onchocerca volvulus 0.0013 0.0273 0.6123
Echinococcus multilocularis cytohesin 1 0.0013 0.0273 0.0273
Schistosoma mansoni goodpasture antigen-binding protein 0.0013 0.0273 0.0468
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Trichomonas vaginalis AGC family protein kinase 0.0205 0.8617 1
Schistosoma mansoni myotubularin-related protein 0.0013 0.0273 0.0468
Trypanosoma brucei protein kinase, putative 0.0014 0.0349 0.0091
Trichomonas vaginalis AGC family protein kinase 0.0205 0.8617 1
Echinococcus granulosus beta 1 syntrophin 0.0014 0.0313 0.0313
Brugia malayi protein unc-22 0.0008 0.0076 0.0088
Echinococcus granulosus type II inositol 34 bisphosphate 4 phosphatase 0.0013 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0013 0.0273 0.0317
Trypanosoma brucei serine/threonine-protein kinase NRKB, putative 0.0014 0.0349 0.0091

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Binding affinity to HuR after 24 hrs by microdialysis method ChEMBL. 17632515
Activity (ADMET) = 94 % Cytotoxicity against human PBMC assessed as cell viability at 25 uM after 48 hrs relative control ChEMBL. 17632515
IC50 (binding) = 10 uM Inhibition of MYLK ChEMBL. 17632515
Inhibition (binding) Inhibition of HuR homodimerization by Western blot analysis ChEMBL. 17632515
Inhibition (binding) Inhibition of HuR homodimerization by size-exclusion chromatography in presence of low UV irradiation ChEMBL. 17632515
Inhibition (binding) Inhibition of HuR homodimerization after 24 hrs by microdialysis in presence of low UV irradiation ChEMBL. 17632515
Inhibition (binding) Inhibition of recombinant full length HuR assessed as inhibition of protein-IL-2 A/U-rich element interaction-associated release of particle number at 2 uM by 2D-FIDA ChEMBL. 17632515
Kd (binding) = 0.1 nM Inhibition of recombinant HuR RRM1/RRM2 domain assessed as protein dimerization with TMR-labeled A/U-rich element of TNFalpha by confocal fluctuation spectroscopy ChEMBL. 17632515
Kd (binding) = 0.1 nM Inhibition of recombinant HuR RRM1/RRM2 domain assessed as protein dimerization with TMR-labeled A/U-rich element of IL-2 by confocal fluctuation spectroscopy ChEMBL. 17632515
Kd (binding) = 14 nM Inhibition of recombinant HuR RRM1/RRM2 domain assessed as protein interaction with TMR-labeled A/U-rich element of TNFalpha by confocal fluctuation spectroscopy ChEMBL. 17632515
Kd (binding) = 230 nM Inhibition of recombinant HuR RRM1/RRM2 domain assessed as protein interaction with TMR-labeled A/U-rich element of IL-2 by confocal fluctuation spectroscopy ChEMBL. 17632515
Kd (binding) = 420 nM Binding affinity recombinant HuR RRM1/RRM2 domain by confocal fluctuation spectroscopy ChEMBL. 17632515

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

1 literature reference was collected for this gene.

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