Detailed information for compound 1003468

Basic information

Technical information
  • TDR Targets ID: 1003468
  • Name: 3,6-dihydroxy-8,8-dimethyl-1-oxo-3,4,7,9-tetr ahydrocyclopenta[h]isochromene-5-carbaldehyde
  • MW: 276.285 | Formula: C15H16O5
  • H donors: 2 H acceptors: 4 LogP: 2.43 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1c(O)c2CC(Cc2c2c1CC(O)OC2=O)(C)C
  • InChi: 1S/C15H16O5/c1-15(2)4-8-9(5-15)13(18)10(6-16)7-3-11(17)20-14(19)12(7)8/h6,11,17-18H,3-5H2,1-2H3
  • InChiKey: BDEDPKFUFGCVCJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,6-dihydroxy-8,8-dimethyl-1-oxo-3,4,7,9-tetrahydrocyclopenta[h]isochromene-5-carboxaldehyde
  • 3,6-dihydroxy-1-keto-8,8-dimethyl-3,4,7,9-tetrahydrocyclopenta[h]isochromene-5-carbaldehyde

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein tyrosine phosphatase, receptor type, F Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major tyrosine specific protein phosphatase, putative Get druggable targets OG5_128637 All targets in OG5_128637
Trypanosoma cruzi tyrosine specific protein phosphatase, putative Get druggable targets OG5_128637 All targets in OG5_128637
Leishmania braziliensis tyrosine specific protein phosphatase, putative Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma japonicum Receptor-type tyrosine-protein phosphatase delta precursor, putative Get druggable targets OG5_128637 All targets in OG5_128637
Echinococcus multilocularis receptor type tyrosine protein phosphatase F Get druggable targets OG5_128637 All targets in OG5_128637
Echinococcus granulosus receptor type tyrosine protein phosphatase Get druggable targets OG5_128637 All targets in OG5_128637
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128637 All targets in OG5_128637
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma japonicum ko:K05695 protein tyrosine phosphatase, receptor type, F, putative Get druggable targets OG5_128637 All targets in OG5_128637
Loa Loa (eye worm) fibronectin type III domain-containing protein Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma japonicum IPR003961,Fibronectin, type III;IPR008957,Fibronectin, type III-like fold,domain-containing Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma mansoni receptor tyrosine phosphatase type r2a Get druggable targets OG5_128637 All targets in OG5_128637
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128637 All targets in OG5_128637
Echinococcus multilocularis sortilin receptor Get druggable targets OG5_128637 All targets in OG5_128637
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma mansoni receptor tyrosine phosphatase type r2a Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma japonicum Tyrosine-protein phosphatase Lar precursor, putative Get druggable targets OG5_128637 All targets in OG5_128637
Leishmania infantum tyrosine specific protein phosphatase, putative Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma japonicum Receptor-type tyrosine-protein phosphatase F precursor, putative Get druggable targets OG5_128637 All targets in OG5_128637
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma mansoni receptor tyrosine phosphatase type r2a Get druggable targets OG5_128637 All targets in OG5_128637
Leishmania mexicana tyrosine specific protein phosphatase, putative Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma japonicum expressed protein Get druggable targets OG5_128637 All targets in OG5_128637
Echinococcus multilocularis receptor type tyrosine protein phosphatase Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma japonicum ko:K06777 protein tyrosine phosphatase, receptor type, D, putative Get druggable targets OG5_128637 All targets in OG5_128637
Onchocerca volvulus Get druggable targets OG5_128637 All targets in OG5_128637
Echinococcus multilocularis receptor type tyrosine protein phosphatase Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma japonicum Receptor-type tyrosine-protein phosphatase S precursor, putative Get druggable targets OG5_128637 All targets in OG5_128637
Schistosoma japonicum Receptor-type tyrosine-protein phosphatase S precursor, putative Get druggable targets OG5_128637 All targets in OG5_128637
Trypanosoma cruzi tyrosine specific protein phosphatase, putative Get druggable targets OG5_128637 All targets in OG5_128637
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type Get druggable targets OG5_128637 All targets in OG5_128637
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O Get druggable targets OG5_128637 All targets in OG5_128637
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O Get druggable targets OG5_128637 All targets in OG5_128637
Leishmania donovani tyrosine specific protein phosphatase, putative Get druggable targets OG5_128637 All targets in OG5_128637
Echinococcus granulosus receptor type tyrosine protein phosphatase Get druggable targets OG5_128637 All targets in OG5_128637
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) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.2713 0.1731
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.2987 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.2987 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.001 0.0079 0.0265
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0032 0.162 0.0491
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0 0.5
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0032 0.162 0.5423
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2987 1
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0027 0.1313 0.4396
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0032 0.162 0.5423
Loa Loa (eye worm) hypothetical protein 0.015 1 1
Schistosoma mansoni hypothetical protein 0.0022 0.0962 0.322
Brugia malayi MAP kinase sur-1 0.0051 0.2987 0.2931
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2987 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.2987 1
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.2987 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.289 0.9424
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.2987 1
Leishmania major hypothetical protein, conserved 0.0049 0.289 0.9424
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0027 0.1313 0.4396
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.2987 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2987 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0 0.5
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0 0.5
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0962 0.322
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2713 0.9082
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0027 0.1313 0.1244
Treponema pallidum bacterioferrin (TpF1) 0.0009 0 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.2987 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.2987 1
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.2987 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0035 0.1873 0.6272
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.289 0.9424
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0035 0.1873 0.6272
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0032 0.162 0.5423
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0962 0.322
Schistosoma mansoni protein tyrosine phosphatase 0.001 0.0079 0.0265
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.289 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.289 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2713 0.9082
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0035 0.1873 0.6272
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.2987 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.2987 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.2987 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2713 0.9082
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.001 0.0079 0.0265
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0 0.5
Echinococcus multilocularis sortilin receptor 0.0022 0.0934 0.3127
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0032 0.162 0.5423
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.2987 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.289 0.1932
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.2987 0.2042
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0035 0.1873 0.6272
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2987 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2713 0.9082
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.289 0.5
Schistosoma mansoni receptor protein tyrosine phosphatase 0.001 0.0079 0.0265
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0035 0.1873 0.6272
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0 0.5
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0035 0.1873 0.6272
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.001 0.0079 0.0265
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0027 0.1313 0.4396
Trypanosoma brucei protein kinase, putative 0.0051 0.2987 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.2713 0.2654
Loa Loa (eye worm) hypothetical protein 0.0026 0.1241 0.006
Onchocerca volvulus 0.015 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2713 0.9082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2713 0.9082
Brugia malayi hypothetical protein 0.0032 0.1651 0.1584
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.001 0.0079 0.0265
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.2987 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2713 0.9082
Brugia malayi hypothetical protein 0.0049 0.289 0.2834

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.3 uM Inhibition of human recombinant LAR ChEMBL. 18579388

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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