Detailed information for compound 435317

Basic information

Technical information
  • TDR Targets ID: 435317
  • Name: 1-(2,6-dimethylphenyl)-2-methyl-3-[5-(2-methy l-4-oxopyran-3-yl)oxypentoxy]pyridin-4-one
  • MW: 423.501 | Formula: C25H29NO5
  • H donors: 0 H acceptors: 2 LogP: 4.65 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1ccn(c(c1OCCCCCOc1c(=O)ccoc1C)C)c1c(C)cccc1C
  • InChi: 1S/C25H29NO5/c1-17-9-8-10-18(2)23(17)26-13-11-21(27)24(19(26)3)30-14-6-5-7-15-31-25-20(4)29-16-12-22(25)28/h8-13,16H,5-7,14-15H2,1-4H3
  • InChiKey: GFNVWQMIDVZYML-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,6-dimethylphenyl)-2-methyl-3-[5-(2-methyl-4-oxo-pyran-3-yl)oxypentoxy]pyridin-4-one
  • 1-(2,6-dimethylphenyl)-2-methyl-3-[5-[(2-methyl-4-oxo-3-pyranyl)oxy]pentoxy]-4-pyridinone
  • 1-(2,6-dimethylphenyl)-3-[5-(4-keto-2-methyl-pyran-3-yl)oxypentoxy]-2-methyl-4-pyridone

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi hypothetical protein 0.0025 0.0372 0.0892
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.114 1
Schistosoma mansoni cpg binding protein 0.0032 0.0539 0.0496
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0182 0.4165 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.2251 0.54
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0182 0.4165 1
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.1132 0.1172
Schistosoma mansoni hypothetical protein 0.0033 0.0562 0.0519
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1469 0.3527
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0372 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0924 0.0882
Echinococcus multilocularis GPCR, family 2 0.0033 0.0562 0.056
Loa Loa (eye worm) hypothetical protein 0.0025 0.0372 0.0886
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0562 0.135
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0924 0.2217
Echinococcus multilocularis cpg binding protein 0.0032 0.0539 0.0537
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.3131 0.4253
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.4165 1
Toxoplasma gondii hypothetical protein 0.0048 0.0923 0.7169
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0182 0.4165 0.5
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0562 0.135
Schistosoma mansoni hypothetical protein 0.0425 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0924 0.0921
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0924 0.0921
Loa Loa (eye worm) hypothetical protein 0.0033 0.0562 0.1344
Schistosoma mansoni cpg binding protein 0.0032 0.0539 0.0496
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.2251 0.5403
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0924 0.0921
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.3131 0.4253
Brugia malayi hypothetical protein 0.0016 0.0162 0.039
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.3131 0.4253
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.686 1
Echinococcus granulosus cpg binding protein 0.0032 0.0539 0.0537
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.4165 1
Schistosoma mansoni hypothetical protein 0.0033 0.0562 0.0519
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0562 0.056
Echinococcus granulosus GPCR family 2 0.0033 0.0562 0.056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0924 0.0882
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.4165 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0776 0.0624
Loa Loa (eye worm) hypothetical protein 0.0103 0.2251 0.54
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.4165 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0562 0.056
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0056 0.1132 0.1172
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0562 0.1344
Schistosoma mansoni cpg binding protein 0.003 0.0498 0.0455
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0776 0.0624
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0372 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.351 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0924 0.0921
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0776 0.0624
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0046 0.0043
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0182 0.4165 1
Schistosoma mansoni hypothetical protein 0.007 0.1469 0.143
Onchocerca volvulus 0.0182 0.4165 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0046 0.0043
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.686 1
Leishmania major hypothetical protein, conserved 0.0056 0.1132 0.1172
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0924 0.2212
Schistosoma mansoni hypothetical protein 0.0033 0.0562 0.0519
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0994 0.0959
Schistosoma mansoni hypothetical protein 0.0033 0.0562 0.0519
Brugia malayi CXXC zinc finger family protein 0.003 0.0498 0.1196
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1303 0.1263
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.686 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.2251 0.5403
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.1132 0.1172
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0924 0.0882
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0372 0.5
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0182 0.4165 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0562 0.056
Echinococcus multilocularis dnaJ subfamily B 0.0425 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0562 0.056
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.686 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0498 0.119
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0776 0.0624
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0182 0.4165 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.4165 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.4165 1
Loa Loa (eye worm) hypothetical protein 0.007 0.1469 0.3522

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 Antiamastigote activity against Leishmania donovani MHOM IN/Dd8 in mouse J-774A.1 cells by luciferase reporter gene assay after 72 hrs ChEMBL. 17306422
IC50 (functional) = 17.89 ug ml-1 Antipromastigote activity against Leishmania donovani MHOM IN/Dd8 assessed as luciferase activity after 72 hrs ChEMBL. 17306422
IC50 (functional) = 17.89 ug ml-1 Antipromastigote activity against Leishmania donovani MHOM IN/Dd8 assessed as luciferase activity after 72 hrs ChEMBL. 17306422
IC90 (functional) 0 Antiamastigote activity against Leishmania donovani MHOM IN/Dd8 in mouse J-774A.1 cells by luciferase reporter gene assay after 72 hrs ChEMBL. 17306422
IC90 (functional) = 57.92 ug ml-1 Antipromastigote activity against Leishmania donovani MHOM IN/Dd8 assessed as luciferase activity after 72 hrs ChEMBL. 17306422
IC90 (functional) = 57.92 ug ml-1 Antipromastigote activity against Leishmania donovani MHOM IN/Dd8 assessed as luciferase activity after 72 hrs ChEMBL. 17306422

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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