Detailed information for compound 1267475

Basic information

Technical information
  • TDR Targets ID: 1267475
  • Name: N-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2 -yl)methoxy]phenyl]pentanamide
  • MW: 365.426 | Formula: C21H23N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.06 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(=O)Nc1ccc(cc1)OCc1cc(=O)n2c(n1)cc(cc2)C
  • InChi: 1S/C21H23N3O3/c1-3-4-5-20(25)23-16-6-8-18(9-7-16)27-14-17-13-21(26)24-11-10-15(2)12-19(24)22-17/h6-13H,3-5,14H2,1-2H3,(H,23,25)
  • InChiKey: REEQLESKXWYQRN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
  • N-[4-[(8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methoxy]phenyl]pentanamide
  • N-[4-[(4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]valeramide
  • G756-1095
  • NCGC00133717-01

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
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0303 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0303 0.0411
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.1246 1
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0106 0.0114
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0303 0.5
Leishmania major hypothetical protein, conserved 0.0027 0.1246 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.3258 0.4427
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.1246 1
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.1246 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0303 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.3258 0.4427
Loa Loa (eye worm) hypothetical protein 0.0078 0.9262 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3679 0.3972
Loa Loa (eye worm) hypothetical protein 0.0045 0.4087 0.4413
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.736 1
Brugia malayi PHD-finger family protein 0.0027 0.1356 0.1086
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.736 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0947 0.1287
Schistosoma mansoni ap endonuclease 0.0021 0.0303 0.0379
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0303 0.5
Schistosoma mansoni ap endonuclease 0.0021 0.0303 0.0379
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0947 0.1287
Brugia malayi Bromodomain containing protein 0.0042 0.3667 0.3469
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0303 0.5
Schistosoma mansoni bromodomain containing protein 0.007 0.7978 1
Echinococcus granulosus zinc finger protein 0.0022 0.0435 0.0592
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0303 0.0411
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.1246 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0303 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.1246 1
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0618 0.0667
Echinococcus multilocularis zinc finger protein 0.0022 0.0435 0.0592
Loa Loa (eye worm) hypothetical protein 0.0047 0.4417 0.4769
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.1246 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0303 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0303 0.0327
Schistosoma mansoni hypothetical protein 0.0023 0.0618 0.0774
Schistosoma mansoni zinc finger protein 0.0022 0.0435 0.0546
Brugia malayi hypothetical protein 0.0027 0.1246 0.0973
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0303 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.1246 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0947 0.1188
Loa Loa (eye worm) hypothetical protein 0.0027 0.1246 0.1345

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

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

No literature references available for this target.

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