Detailed information for compound 1312763

Basic information

Technical information
  • TDR Targets ID: 1312763
  • Name: 2-fluoro-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2 -yl)methoxy]phenyl]benzamide
  • MW: 389.379 | Formula: C22H16FN3O3
  • H donors: 1 H acceptors: 2 LogP: 2.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1F)Nc1ccccc1OCc1cc(=O)n2c(n1)cccc2
  • InChi: 1S/C22H16FN3O3/c23-17-8-2-1-7-16(17)22(28)25-18-9-3-4-10-19(18)29-14-15-13-21(27)26-12-6-5-11-20(26)24-15/h1-13H,14H2,(H,25,28)
  • InChiKey: DOBPKANLOMVLOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-fluoro-N-[2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methoxy]phenyl]benzamide
  • 2-fluoro-N-[2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
  • G756-0024
  • NCGC00133810-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 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) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin 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
Brugia malayi Intermediate filament tail domain containing 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 MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) intermediate filament tail domain-containing 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin 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 multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical 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
Echinococcus multilocularis musashi 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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin 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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) oxidoreductase 0.0016 0.0033 0.0034
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0133 0.8786 0.8782
Echinococcus granulosus lamin 0.0033 0.1266 0.1441
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0149 1 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0016 0.0033 0.0038
Echinococcus granulosus carbonyl reductase 1 0.0016 0.0033 0.0038
Echinococcus multilocularis steroid dehydrogenase 0.0016 0.0033 0.0038
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0133 0.8786 0.8782
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0149 1 1
Trypanosoma brucei oxidoreductase-like protein 0.0149 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0133 0.8786 0.8782
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1266 0.1282
Echinococcus granulosus lamin dm0 0.0033 0.1266 0.1441
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0133 0.8786 0.8782
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0133 0.8786 1
Echinococcus granulosus intermediate filament protein 0.0033 0.1266 0.1441
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0133 0.8786 0.8782
Echinococcus multilocularis musashi 0.0033 0.1266 0.1441
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0133 0.8786 0.8782
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0133 0.8786 0.8782
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0133 0.8786 1
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0133 0.8786 1
Loa Loa (eye worm) oxidoreductase 0.0016 0.0033 0.0034
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.013 0.0101
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1266 0.1312
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1266 0.1312
Mycobacterium ulcerans short chain dehydrogenase 0.0133 0.8786 0.8782
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0133 0.8786 0.8782
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0016 0.0033 0.0038
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0034
Trypanosoma brucei pteridine reductase 1 0.0133 0.8786 0.8782
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0133 0.8786 1
Echinococcus multilocularis lamin 0.0033 0.1266 0.1441
Echinococcus granulosus carbonyl reductase 1 0.0016 0.0033 0.0038
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0034
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0034
Mycobacterium tuberculosis Possible oxidoreductase 0.0133 0.8786 0.8782
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.013 0.0135
Echinococcus multilocularis conserved hypothetical protein 0.0016 0.0033 0.0038
Echinococcus multilocularis retinol dehydrogenase 11 0.0016 0.0033 0.0038
Loa Loa (eye worm) hypothetical protein 0.0033 0.1266 0.1312
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0133 0.8786 0.8782
Mycobacterium ulcerans short chain dehydrogenase 0.0133 0.8786 0.8782
Schistosoma mansoni lamin 0.0033 0.1266 0.1409
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0133 0.8786 0.8782
Echinococcus granulosus WW domain containing oxidoreductase 0.0016 0.0033 0.0038
Mycobacterium ulcerans short chain dehydrogenase 0.0133 0.8786 0.8782
Echinococcus granulosus retinol dehydrogenase 11 0.0016 0.0033 0.0038
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0133 0.8786 0.8782
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0034
Mycobacterium ulcerans short chain dehydrogenase 0.0133 0.8786 0.8782
Schistosoma mansoni lamin 0.0033 0.1266 0.1409
Giardia lamblia Reductase, putative 0.0016 0.0033 0.5
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0133 0.8786 1
Leishmania major oxidoreductase-like protein 0.0149 1 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0133 0.8786 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0149 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0133 0.8786 0.9099
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0133 0.8786 0.8782
Onchocerca volvulus 0.0149 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0133 0.8786 0.8782
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0133 0.8786 0.8782
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0133 0.8786 0.8782
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.9652 1
Loa Loa (eye worm) oxidoreductase 0.0016 0.0033 0.0034
Loa Loa (eye worm) oxidoreductase 0.0016 0.0033 0.0034
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0133 0.8786 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.0133 0.8786 1
Echinococcus multilocularis carbonyl reductase 1 0.0016 0.0033 0.0038
Echinococcus granulosus steroid dehydrogenase 0.0016 0.0033 0.0038
Mycobacterium ulcerans short chain dehydrogenase 0.0133 0.8786 0.8782
Giardia lamblia Hypothetical protein 0.0016 0.0033 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0016 0.0033 0.0038
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0133 0.8786 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0133 0.8786 1
Chlamydia trachomatis oxoacy-ACP reductase 0.0133 0.8786 0.5
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0133 0.8786 1
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0133 0.8786 0.8782
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0133 0.8786 0.8782
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0034
Loa Loa (eye worm) oxidoreductase 0.0016 0.0033 0.0034
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0034
Echinococcus multilocularis steroid dehydrogenase 0.0016 0.0033 0.0038
Echinococcus granulosus carbonyl reductase 1 0.0016 0.0033 0.0038
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0016 0.0033 0.0038
Mycobacterium ulcerans short chain dehydrogenase 0.0133 0.8786 0.8782
Echinococcus multilocularis retinol dehydrogenase 13 0.0016 0.0033 0.0038
Loa Loa (eye worm) hypothetical protein 0.0032 0.1221 0.1265
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0133 0.8786 0.9102
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0133 0.8786 0.8782
Schistosoma mansoni intermediate filament proteins 0.0033 0.1266 0.1409
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0133 0.8786 0.8782
Onchocerca volvulus 0.0133 0.8786 0.8782
Echinococcus multilocularis carbonyl reductase 1 0.0016 0.0033 0.0038
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0149 1 1
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0016 0.0033 0.0038
Loa Loa (eye worm) oxidoreductase 0.0016 0.0033 0.0034
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0016 0.0033 0.0038
Echinococcus granulosus hypothetical protein 0.0016 0.0033 0.0038
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0133 0.8786 0.8782
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0016 0.0033 0.0038
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0034
Loa Loa (eye worm) oxidoreductase 0.0133 0.8786 0.9102
Echinococcus multilocularis oxidoreductase 0.0016 0.0033 0.0038
Echinococcus multilocularis transient receptor potential cation channel 0.0016 0.0033 0.0038
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0016 0.0033 0.0034
Loa Loa (eye worm) dehydrogenase 0.0016 0.0033 0.0034
Mycobacterium ulcerans short chain dehydrogenase 0.0133 0.8786 0.8782
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0133 0.8786 0.8782
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0133 0.8786 0.8782
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0016 0.0033 0.0038
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0016 0.0033 0.5
Onchocerca volvulus 0.0033 0.1266 0.1237
Brugia malayi intermediate filament protein 0.0033 0.1266 0.1282
Echinococcus multilocularis carbonyl reductase 1 0.0016 0.0033 0.0038
Echinococcus multilocularis lamin dm0 0.0033 0.1266 0.1441
Mycobacterium ulcerans short chain dehydrogenase 0.0149 1 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0133 0.8786 0.8782
Loa Loa (eye worm) oxidoreductase 0.0016 0.0033 0.0034
Mycobacterium ulcerans short chain dehydrogenase 0.0133 0.8786 0.8782
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0133 0.8786 0.9099
Giardia lamblia Short-chain dehydrogenase, putative 0.0016 0.0033 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0133 0.8786 0.8782
Loa Loa (eye worm) oxidoreductase 0.0016 0.0033 0.0034
Echinococcus granulosus carbonyl reductase 1 0.0016 0.0033 0.0038
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0133 0.8786 0.8782
Loa Loa (eye worm) retinol dehydrogenase 12 0.0133 0.8786 0.9102
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.9652 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0034
Trichomonas vaginalis hypothetical protein 0.0133 0.8786 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0133 0.8786 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0133 0.8786 0.8782
Loa Loa (eye worm) dehydrogenase 0.0016 0.0033 0.0034
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0133 0.8786 0.8782
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0149 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0034
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0016 0.0033 0.0038
Onchocerca volvulus 0.0033 0.1266 0.1237
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0133 0.8786 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0133 0.8786 0.8782
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0133 0.8786 0.8782
Loa Loa (eye worm) hypothetical protein 0.0133 0.8786 0.9102
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0034
Echinococcus multilocularis carbonyl reductase 1 0.0016 0.0033 0.0038
Echinococcus granulosus hypothetical protein 0.0016 0.0033 0.0038
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0034
Echinococcus granulosus oxidoreductase 0.0016 0.0033 0.0038
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0133 0.8786 0.8782
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0133 0.8786 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0133 0.8786 0.8782
Schistosoma mansoni dihydropteridine reductase 0.0133 0.8786 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0133 0.8786 0.8782
Mycobacterium tuberculosis Probable oxidoreductase 0.0149 1 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0133 0.8786 0.8782
Mycobacterium ulcerans oxidoreductase 0.0133 0.8786 0.8782
Echinococcus multilocularis retinol dehydrogenase 11 0.0016 0.0033 0.0038
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0133 0.8786 0.8782
Mycobacterium ulcerans short chain dehydrogenase 0.0133 0.8786 0.8782
Brugia malayi MH2 domain containing protein 0.0144 0.9652 1
Loa Loa (eye worm) oxidoreductase 0.0016 0.0033 0.0034
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0016 0.0033 0.0038

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0251 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.4467 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) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (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.
 
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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