Detailed information for compound 1782196

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 471.975 | Formula: C29H26ClNO3
  • H donors: 1 H acceptors: 3 LogP: 7.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)/C(=C/1\c2ccccc2N(C1=O)Cc1cccc(c1)C(=O)O)/C1CCCCC1
  • InChi: 1S/C29H26ClNO3/c30-23-15-13-21(14-16-23)26(20-8-2-1-3-9-20)27-24-11-4-5-12-25(24)31(28(27)32)18-19-7-6-10-22(17-19)29(33)34/h4-7,10-17,20H,1-3,8-9,18H2,(H,33,34)/b27-26+
  • InChiKey: IEHKYPCVCDXRRX-CYYJNZCTSA-N  


Substructure search Similarity search

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, gamma 1 non-catalytic subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) loechrig isoform VII Get druggable targets OG5_128342 All targets in OG5_128342
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma Get druggable targets OG5_128342 All targets in OG5_128342
Schistosoma japonicum 5'-AMP-activated protein kinase subunit gamma-2, putative Get druggable targets OG5_128342 All targets in OG5_128342
Candida albicans corresponds to C-terminus of S. cerevisiae SNF4 and allelic CaP19.13191 Get druggable targets OG5_128342 All targets in OG5_128342
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma Get druggable targets OG5_128342 All targets in OG5_128342
Candida albicans glucose repression Get druggable targets OG5_128342 All targets in OG5_128342
Candida albicans release from glucose repression, invertase expression Get druggable targets OG5_128342 All targets in OG5_128342
Schistosoma japonicum ko:K07200 5'-AMP-activated protein kinase, regulatory gamma subunit, putative Get druggable targets OG5_128342 All targets in OG5_128342
Schistosoma mansoni protein kinase subunit gamma Get druggable targets OG5_128342 All targets in OG5_128342
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit Get druggable targets OG5_128342 All targets in OG5_128342
Brugia malayi loechrig isoform VII Get druggable targets OG5_128342 All targets in OG5_128342
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma Get druggable targets OG5_128342 All targets in OG5_128342
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi CBS domain containing protein protein kinase, AMP-activated, gamma 1 non-catalytic subunit 340 aa 312 aa 23.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0136 1 1
Schistosoma mansoni protein kinase subunit gamma 0.0136 1 0.5
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0136 1 0.5
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0136 1 0.5
Loa Loa (eye worm) loechrig isoform VII 0.0136 1 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 4.6 uM Activation of recombinant AMPK alpha2beta1gamma1 (unknown origin) after 2 hrs by scintillation proximity assay ChEMBL. 24900695
Efficacy (binding) = 103 % Activation of recombinant AMPK alpha2beta1gamma1 (unknown origin) at 20 ug/mL after 2 hrs by scintillation proximity assay relative to AMP ChEMBL. 24900695

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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