Detailed information for compound 2113177

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.1 | Formula: C21H15NO4
  • H donors: 4 H acceptors: 4 LogP: 4.12 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 0
  • SMILES: Oc1cccc(c1c1ccc(cc1)c1ccc2c(c1)c(c[nH]2)C(=O)O)O
  • InChi: InChI=1S/C21H15NO4/c23-18-2-1-3-19(24)20(18)13-6-4-12(5-7-13)14-8-9-17-15(10-14)16(11-22-17)21(25)26/h1-11,22-24H,(H,25,26)
  • InChiKey: GQAXJYFQZNZNIM-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase, AMP-activated, beta 1 non-catalytic subunit References
Homo sapiens protein kinase, AMP-activated, beta 2 non-catalytic subunit References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127587 All targets in OG5_127587
Echinococcus multilocularis AMPK beta subunit Get druggable targets OG5_127587 All targets in OG5_127587
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127587 All targets in OG5_127587
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit Get druggable targets OG5_127587 All targets in OG5_127587
Loa Loa (eye worm) 5'-AMP-activated protein kinase Get druggable targets OG5_127587 All targets in OG5_127587
Onchocerca volvulus Alicorn homolog Get druggable targets OG5_127587 All targets in OG5_127587
Candida albicans glucose repression Get druggable targets OG5_127587 All targets in OG5_127587
Cryptosporidium hominis gal83 protein Get druggable targets OG5_127587 All targets in OG5_127587
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein Get druggable targets OG5_127587 All targets in OG5_127587
Schistosoma mansoni protein kinase subunit beta Get druggable targets OG5_127587 All targets in OG5_127587
Echinococcus granulosus AMPK beta subunit Get druggable targets OG5_127587 All targets in OG5_127587
Babesia bovis hypothetical protein Get druggable targets OG5_127587 All targets in OG5_127587
Leishmania donovani 5'-AMP-activated protein kinase subunit beta, putative Get druggable targets OG5_127587 All targets in OG5_127587
Theileria parva hypothetical protein Get druggable targets OG5_127587 All targets in OG5_127587
Toxoplasma gondii 5'-AMP-activated protein kinase subunit beta-1 family protein, putative Get druggable targets OG5_127587 All targets in OG5_127587
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127587 All targets in OG5_127587
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein Get druggable targets OG5_127587 All targets in OG5_127587
Cryptosporidium parvum AMP-activated protein kinase beta chain (has isoamylase N-terminal domain) Get druggable targets OG5_127587 All targets in OG5_127587
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative Get druggable targets OG5_127587 All targets in OG5_127587
Candida albicans glucose repression Get druggable targets OG5_127587 All targets in OG5_127587
Neospora caninum hypothetical protein Get druggable targets OG5_127587 All targets in OG5_127587
Schistosoma japonicum expressed protein Get druggable targets OG5_127587 All targets in OG5_127587
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative Get druggable targets OG5_127587 All targets in OG5_127587
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta Get druggable targets OG5_127587 All targets in OG5_127587
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127587 All targets in OG5_127587
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127587 All targets in OG5_127587

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus 5' AMP activated protein kinase subunit beta 1 protein kinase, AMP-activated, beta 1 non-catalytic subunit 270 aa 236 aa 47.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit 0.0137 1 0.5
Schistosoma mansoni protein kinase subunit beta 0.0137 1 1
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0137 1 0.5
Echinococcus granulosus AMPK beta subunit 0.0137 1 1
Echinococcus multilocularis AMPK beta subunit 0.0137 1 1
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative 0.0137 1 0.5
Onchocerca volvulus Alicorn homolog 0.0119 0.727 0.5
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta 0.0137 1 0.5
Toxoplasma gondii 5'-AMP-activated protein kinase subunit beta-1 family protein, putative 0.0081 0.1154 0.5
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative 0.0137 1 0.5
Leishmania major hypothetical protein, conserved 0.0137 1 0.5
Loa Loa (eye worm) 5'-AMP-activated protein kinase 0.0137 1 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) < 500 nM Activation of human recombinant AMPK beta1 expressed in African green monkey COS7 cells or baculovirus infected insect cells assessed as increase in biotinylated AAC (1 to 120 residues) peptide phosphorylation at Ser-79 residue measured after 60 mins by Alphascreen assay LITERATURE. 27727125
EC50 (binding) < 5000 nM Activation of human recombinant AMPK beta2 expressed in African green monkey COS7 cells or baculovirus infected insect cells assessed as increase in biotinylated AAC (1 to 120 residues) peptide phosphorylation at Ser-79 residue measured after 60 mins by Alphascreen assay LITERATURE. 27727125

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.