Detailed information for compound 1425092

Basic information

Technical information
  • TDR Targets ID: 1425092
  • Name: 3-chloro-N-[3-[(9-methyl-4-oxopyrido[1,2-a]py rimidin-2-yl)methoxy]phenyl]benzamide
  • MW: 419.86 | Formula: C23H18ClN3O3
  • H donors: 1 H acceptors: 2 LogP: 3.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C(=O)Nc1cccc(c1)OCc1cc(=O)n2c(n1)c(C)ccc2
  • InChi: 1S/C23H18ClN3O3/c1-15-5-4-10-27-21(28)13-19(25-22(15)27)14-30-20-9-3-8-18(12-20)26-23(29)16-6-2-7-17(24)11-16/h2-13H,14H2,1H3,(H,26,29)
  • InChiKey: SJJOWESHYMRDTR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-chloro-N-[3-[(9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
  • 3-chloro-N-[3-[(9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methoxy]phenyl]benzamide
  • 3-chloro-N-[3-[(4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
  • G756-0590
  • NCGC00133653-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Loa Loa (eye worm) latrophilin receptor protein 2 0.0266 0.3019 0.3019
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0226 0.2126
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0096 0.0289
Brugia malayi intermediate filament protein 0.0033 0.0184 0.0184
Loa Loa (eye worm) Smad1 0.0025 0.0096 0.0096
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0046 0.0347 0.1107
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0226 0.0323
Echinococcus multilocularis lamin dm0 0.0033 0.0184 0.0574
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.021 0.0659
Brugia malayi MH2 domain containing protein 0.0372 0.4313 0.4313
Brugia malayi Calcitonin receptor-like protein seb-1 0.0841 1 1
Schistosoma mansoni tar DNA-binding protein 0.027 0.3074 0.4535
Echinococcus granulosus lamin dm0 0.0033 0.0184 0.0574
Brugia malayi Latrophilin receptor protein 2 0.0266 0.3019 0.3019
Brugia malayi MH2 domain containing protein 0.0025 0.0096 0.0096
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3263 0.5
Brugia malayi TAR-binding protein 0.027 0.3074 0.3074
Trypanosoma brucei PAB1-binding protein , putative 0.0103 0.1034 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0226 0.0323
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0184 0.0184
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0226 0.0323
Schistosoma mansoni intermediate filament proteins 0.0033 0.0184 0.026
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.1034 0.5
Brugia malayi hypothetical protein 0.0018 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0266 0.3019 0.4454
Loa Loa (eye worm) hypothetical protein 0.0575 0.6769 0.6769
Schistosoma mansoni tar DNA-binding protein 0.027 0.3074 0.4535
Echinococcus granulosus GPCR family 2 0.0266 0.3019 0.9822
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0367 0.4252 1
Brugia malayi Pre-SET motif family protein 0.0251 0.2841 0.2841
Schistosoma mansoni hypothetical protein 0.0266 0.3019 0.4454
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0018 0.0008 0.0008
Brugia malayi RNA recognition motif domain containing protein 0.027 0.3074 0.3074
Echinococcus granulosus intermediate filament protein 0.0033 0.0184 0.0574
Echinococcus multilocularis tar DNA binding protein 0.027 0.3074 1
Echinococcus granulosus tar DNA binding protein 0.027 0.3074 1
Echinococcus granulosus Smad4 0.0025 0.0096 0.0289
Schistosoma mansoni hypothetical protein 0.0266 0.3019 0.4454
Echinococcus granulosus lamin 0.0033 0.0184 0.0574
Schistosoma mansoni smad 0.0025 0.0096 0.0131
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.1034 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0096 0.0289
Loa Loa (eye worm) DIX domain-containing protein 0.0018 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0036 0.0226 0.0226
Schistosoma mansoni Smad4 0.0025 0.0096 0.0131
Loa Loa (eye worm) TAR-binding protein 0.027 0.3074 0.3074
Onchocerca volvulus 0.0286 0.3263 0.767
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0226 0.0712
Loa Loa (eye worm) hypothetical protein 0.0841 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0033 0.0184 0.0184
Schistosoma mansoni smad1 5 8 and 0.0025 0.0096 0.0131
Toxoplasma gondii LsmAD domain-containing protein 0.0103 0.1034 1
Schistosoma mansoni hypothetical protein 0.0575 0.6769 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.1034 0.5
Brugia malayi hypothetical protein 0.0066 0.0593 0.0593
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.027 0.3074 0.3074
Loa Loa (eye worm) RNA binding protein 0.027 0.3074 0.3074
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0046 0.0347 0.1107
Schistosoma mansoni tar DNA-binding protein 0.027 0.3074 0.4535
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0096 0.0096
Echinococcus multilocularis lamin 0.0033 0.0184 0.0574
Loa Loa (eye worm) MH2 domain-containing protein 0.0372 0.4313 0.4313
Loa Loa (eye worm) hypothetical protein 0.0266 0.3019 0.3019
Brugia malayi N-terminal motif family protein 0.0367 0.4252 0.4252
Brugia malayi regulator of G-protein signaling egl-10 0.0018 0.0008 0.0008
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0841 1 1
Schistosoma mansoni lamin 0.0033 0.0184 0.026
Brugia malayi MH2 domain containing protein 0.0025 0.0096 0.0096
Schistosoma mansoni tar DNA-binding protein 0.027 0.3074 0.4535
Leishmania major hypothetical protein, conserved 0.0103 0.1034 0.5
Schistosoma mansoni hypothetical protein 0.0046 0.0347 0.0502
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0266 0.3019 0.3019
Brugia malayi Smad1 0.0025 0.0096 0.0096
Brugia malayi hypothetical protein 0.0103 0.1034 0.1034
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0266 0.3019 0.9822
Brugia malayi hypothetical protein 0.0018 0.0008 0.0008
Onchocerca volvulus 0.0033 0.0184 0.0414
Schistosoma mansoni smad1 5 8 and 0.0025 0.0096 0.0131
Schistosoma mansoni hypothetical protein 0.0266 0.3019 0.4454
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0008 0.0008
Brugia malayi DIX domain containing protein 0.0018 0.0008 0.0008
Brugia malayi Pre-SET motif family protein 0.0036 0.0226 0.0226
Schistosoma mansoni smad1 5 8 and 0.0025 0.0096 0.0131
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0008 0.0008
Brugia malayi MH1 domain containing protein 0.0025 0.0096 0.0096
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0266 0.3019 0.9822
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0266 0.3019 0.9822
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0096 0.0096
Onchocerca volvulus 0.0033 0.0184 0.0414
Schistosoma mansoni tar DNA-binding protein 0.027 0.3074 0.4535
Echinococcus multilocularis Smad4 0.0025 0.0096 0.0289
Onchocerca volvulus 0.0036 0.0226 0.0514
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0226 0.0712
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0184 0.0184
Echinococcus multilocularis smad 0.0025 0.0096 0.0289
Loa Loa (eye worm) transcription factor SMAD2 0.0372 0.4313 0.4313
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.0008
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0266 0.3019 0.9822
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.0008
Plasmodium vivax ataxin-2 like protein, putative 0.0103 0.1034 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0367 0.4252 0.4252
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.1034 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0575 0.6769 0.6769
Echinococcus multilocularis GPCR, family 2 0.0266 0.3019 0.9822
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0096 0.0289
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0096 0.0289
Schistosoma mansoni lamin 0.0033 0.0184 0.026
Echinococcus multilocularis musashi 0.0033 0.0184 0.0574
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0184 0.0184
Loa Loa (eye worm) hypothetical protein 0.0103 0.1034 0.1034
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0226 0.0323
Echinococcus granulosus smad 0.0025 0.0096 0.0289
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0096 0.0131
Brugia malayi MH1 domain containing protein 0.0025 0.0096 0.0096
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2841 0.2841
Brugia malayi RNA binding protein 0.027 0.3074 0.3074
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0226 0.0712

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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