Detailed information for compound 1253301

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 460.525 | Formula: C26H28N4O4
  • H donors: 0 H acceptors: 2 LogP: 3.16 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)c1cnn2c1ncc(c2)c1ccc(cc1)OCCN1CCOCC1
  • InChi: 1S/C26H28N4O4/c1-31-24-8-5-20(15-25(24)32-2)23-17-28-30-18-21(16-27-26(23)30)19-3-6-22(7-4-19)34-14-11-29-9-12-33-13-10-29/h3-8,15-18H,9-14H2,1-2H3
  • InChiKey: SATGZUOHGLPDDY-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, gamma 3 non-catalytic subunit Starlite/ChEMBL References

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
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0008 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.1079 0.1079
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0008 1 0.5
Schistosoma mansoni chloride channel protein 0.0008 1 1
Mycobacterium tuberculosis Hypoxic response protein 1 Hrp1 0.0008 1 0.5
Onchocerca volvulus 0.0008 1 0.5
Treponema pallidum Mg2+ transport protein (mgtE) 0.0008 1 0.5
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0008 1 1
Wolbachia endosymbiont of Brugia malayi hemolysin 0.0008 1 0.5
Echinococcus granulosus AMP activated protein kinase gamma regulatory 0.0008 1 1
Loa Loa (eye worm) chloride channel 3 0.0008 1 1
Echinococcus multilocularis transient receptor potential cation channel 0.0006 0.1079 0.1079
Trypanosoma brucei Voltage-gated Chloride channel Like 3 0.0008 1 0.5
Wolbachia endosymbiont of Brugia malayi Mg2+/Co2+ transporter 0.0008 1 0.5
Leishmania major guanosine monophosphate reductase 0.0008 1 0.5
Toxoplasma gondii chloride transporter, chloride channel (ClC) family protein 0.0008 1 0.5
Toxoplasma gondii CBS family protein 0.0008 1 0.5
Giardia lamblia Manganese-dependent inorganic pyrophosphatase, putative 0.0008 1 0.5
Toxoplasma gondii CBS domain-containing protein 0.0008 1 0.5
Leishmania major inosine-5-monophosphate dehydrogenase 0.0008 1 0.5
Echinococcus multilocularis H(+):Cl() exchange transporter 7 0.0008 1 1
Trypanosoma brucei GMP reductase 0.0008 1 0.5
Echinococcus granulosus H:Cl exchange transporter 3 0.0008 1 1
Plasmodium falciparum protein MAM3, putative 0.0008 1 0.5
Loa Loa (eye worm) IMP dehydrogenase 1 0.0008 1 1
Brugia malayi Voltage gated chloride channel family protein 0.0008 1 1
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0008 1 0.5
Trypanosoma cruzi chloride channel protein, putative 0.0008 1 0.5
Mycobacterium ulcerans transcriptional regulator 0.0008 1 0.5
Brugia malayi CBS domain containing protein 0.0008 1 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0008 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0008 1 0.5
Brugia malayi loechrig isoform VII 0.0008 1 1
Trypanosoma brucei AMP-activated protein kinase, gamma regulatory subunit 0.0008 1 0.5
Echinococcus multilocularis SNF4:AMP activated protein kinase gamma subunit 0.0008 1 1
Toxoplasma gondii CBS domain-containing protein 0.0008 1 0.5
Schistosoma mansoni protein kinase subunit gamma 0.0008 1 1
Wolbachia endosymbiont of Brugia malayi Mg/Co/Ni transporter MgtE 0.0008 1 0.5
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0008 1 0.5
Leishmania major hypothetical protein, conserved 0.0008 1 0.5
Leishmania major chloride channel protein, putative 0.0008 1 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0008 1 0.5
Trypanosoma cruzi chloride channel protein, putative 0.0008 1 0.5
Trypanosoma brucei Voltage-gated Chloride channel Like 1 0.0008 1 0.5
Mycobacterium tuberculosis Conserved protein 0.0008 1 0.5
Loa Loa (eye worm) loechrig isoform VII 0.0008 1 1
Chlamydia trachomatis Mg++ transporter 0.0008 1 0.5
Chlamydia trachomatis CBS domain-containing protein 0.0008 1 0.5
Echinococcus granulosus transient receptor potential cation channel 0.0006 0.1079 0.1079
Trypanosoma cruzi GMP reductase 0.0008 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Toxoplasma gondii IMP dehydrogenas 0.0008 1 0.5
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0008 1 1
Mycobacterium tuberculosis Conserved protein 0.0008 1 0.5
Treponema pallidum hemolysin (tlyC) 0.0008 1 0.5
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0008 1 1
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0008 1 1
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0008 1 1
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0008 1 0.5
Leishmania major chloride channel protein, putative 0.0008 1 0.5
Trypanosoma cruzi GMP reductase 0.0008 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0008 1 0.5
Brugia malayi ancient conserved domain protein 2 0.0008 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0008 1 0.5
Echinococcus multilocularis H(+):Cl() exchange transporter 4 0.0008 1 1
Mycobacterium ulcerans hypothetical protein 0.0008 1 0.5
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0008 1 1
Loa Loa (eye worm) chloride channel protein 7 0.0008 1 1
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0008 1 0.5
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0008 1 0.5
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0008 1 0.5
Echinococcus granulosus H:Cl exchange transporter 4 0.0008 1 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0008 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0008 1 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0006 0.1079 0.1079
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0008 1 1
Trypanosoma cruzi Domain of unknown function DUF21, putative 0.0008 1 0.5
Trypanosoma cruzi chloride channel protein, putative 0.0008 1 0.5
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0008 1 0.5
Schistosoma mansoni chloride channel protein 0.0008 1 1
Mycobacterium ulcerans cystathionine beta-synthase 0.0008 1 0.5
Echinococcus multilocularis H(+):Cl() exchange transporter 3 0.0008 1 1
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0008 1 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0008 1 0.5
Echinococcus granulosus SNF4:AMP activated protein kinase gamma subunit 0.0008 1 1
Mycobacterium tuberculosis Probable conserved transmembrane alanine and leucine rich protein 0.0008 1 0.5
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.0008 1 0.5
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.0008 1 0.5
Brugia malayi chloride channel protein 7 0.0008 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0008 1 0.5
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0008 1 0.5
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0008 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0006 0.1079 0.1079
Trypanosoma cruzi chloride channel protein, putative 0.0008 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Schistosoma mansoni transient receptor potential channel 0.0006 0.1079 0.1079
Mycobacterium tuberculosis Conserved protein 0.0008 1 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0006 0.1079 0.1079
Brugia malayi CLC chloride channel protein 0.0008 1 1
Leishmania major CBS domain protein, conserved 0.0008 1 0.5
Mycobacterium leprae conserved hypothetical protein 0.0008 1 0.5
Echinococcus granulosus H:Cl exchange transporter 7 0.0008 1 1
Giardia lamblia Hypothetical protein 0.0008 1 0.5
Schistosoma mansoni chloride channel protein 0.0008 1 1
Giardia lamblia Manganese-dependent inorganic pyrophosphatase, putative 0.0008 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.2 uM Inhibition of human AMPK alpha-2/beta-1/gamma-1 by Hot Spot filtration binding assay ChEMBL. 20932747

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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