Detailed information for compound 1291752

Basic information

Technical information
  • TDR Targets ID: 1291752
  • Name: 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6 -[(4-methoxyphenyl)methyl]-2-methyl-1,6-napht hyridin-5-one
  • MW: 486.537 | Formula: C28H27FN4O3
  • H donors: 0 H acceptors: 3 LogP: 3.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Cn1ccc2c(c1=O)cc(c(n2)C)C(=O)N1CCN(CC1)c1ccc(cc1)F
  • InChi: 1S/C28H27FN4O3/c1-19-24(27(34)32-15-13-31(14-16-32)22-7-5-21(29)6-8-22)17-25-26(30-19)11-12-33(28(25)35)18-20-3-9-23(36-2)10-4-20/h3-12,17H,13-16,18H2,1-2H3
  • InChiKey: UBDCZXJKQTXXMB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-6-[(4-methoxyphenyl)methyl]-2-methyl-1,6-naphthyridin-5-one
  • 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxybenzyl)-2-methyl-1,6-naphthyridin-5-one
  • 3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6-[(4-methoxyphenyl)methyl]-2-methyl-1,6-naphthyridin-5-one
  • G267-0058
  • NCGC00129943-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin 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 lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi Intermediate filament tail domain containing 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
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
Loa Loa (eye worm) hypothetical 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
Onchocerca volvulus 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) 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 musashi 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
Loa Loa (eye worm) intermediate filament tail domain-containing 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
Schistosoma mansoni lamin 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
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
Schistosoma japonicum expressed protein 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
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 TAR-binding protein 0.0324 0.2469 0.2469
Schistosoma mansoni hypothetical protein 0.0037 0.0039 0.0158
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0162 0.0352
Schistosoma mansoni hypothetical protein 0.0095 0.0525 0.2126
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0096 0.0536 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0058 0.0214 0.0867
Loa Loa (eye worm) hypothetical protein 0.0204 0.1454 0.1454
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0392 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0058 0.0214 0.0867
Toxoplasma gondii LsmAD domain-containing protein 0.0077 0.0373 0.6324
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0096 0.0536 0.2171
Brugia malayi Probable ClpP-like protease 0.0079 0.0392 0.0392
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0392 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0096 0.0536 1
Brugia malayi hypothetical protein 0.0037 0.0039 0.0039
Echinococcus granulosus mothers against decapentaplegic 5 0.0058 0.0214 0.0867
Schistosoma mansoni hypothetical protein 0.0204 0.1454 0.5889
Loa Loa (eye worm) Smad1 0.0058 0.0214 0.0214
Plasmodium vivax ataxin-2 like protein, putative 0.0077 0.0373 0.6324
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0096 0.0536 0.2171
Loa Loa (eye worm) hypothetical protein 0.0095 0.0525 0.0525
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0092 0.5
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0096 0.0536 1
Brugia malayi Isocitrate dehydrogenase 0.0096 0.0536 0.0536
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0162 0.0657
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0162 0.0352
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0095 0.0525 0.2126
Brugia malayi MH2 domain containing protein 0.0058 0.0214 0.0214
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0015 0.0061
Schistosoma mansoni tar DNA-binding protein 0.0324 0.2469 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0096 0.0536 1
Echinococcus multilocularis smad 0.0058 0.0214 0.0867
Loa Loa (eye worm) hypothetical protein 0.0043 0.0092 0.0092
Brugia malayi beta-lactamase family protein 0.0043 0.0092 0.0092
Brugia malayi RNA recognition motif domain containing protein 0.0324 0.2469 0.2469
Entamoeba histolytica hypothetical protein 0.0037 0.0039 0.5
Brugia malayi RNA binding protein 0.0324 0.2469 0.2469
Loa Loa (eye worm) hypothetical protein 0.0043 0.0092 0.0092
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0092 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0095 0.0525 0.2126
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0392 0.159
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0092 0.5
Schistosoma mansoni hypothetical protein 0.0095 0.0525 0.2126
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0096 0.0536 0.2171
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0392 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0392 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0095 0.0525 0.2126
Onchocerca volvulus 0.0043 0.0092 0.0092
Brugia malayi MH2 domain containing protein 0.0058 0.0214 0.0214
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0058 0.0214 0.0867
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0392 0.6763
Brugia malayi beta-lactamase family protein 0.0043 0.0092 0.0092
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0095 0.0525 0.2126
Loa Loa (eye worm) hypothetical protein 0.0043 0.0092 0.0092
Schistosoma mansoni hypothetical protein 0.0095 0.0525 0.2126
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0096 0.0536 0.2171
Echinococcus multilocularis Smad4 0.0058 0.0214 0.0867
Brugia malayi isocitrate dehydrogenase 0.0096 0.0536 0.0536
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0392 0.159
Onchocerca volvulus 0.0043 0.0092 0.0092
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0092 0.0374
Loa Loa (eye worm) beta-lactamase 0.0043 0.0092 0.0092
Schistosoma mansoni smad1 5 8 and 0.0058 0.0214 0.0867
Brugia malayi MH2 domain containing protein 0.0849 0.6914 0.6914
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0096 0.0536 0.2171
Loa Loa (eye worm) RNA binding protein 0.0324 0.2469 0.2469
Schistosoma mansoni Smad4 0.0058 0.0214 0.0867
Echinococcus multilocularis isocitrate dehydrogenase 0.0096 0.0536 0.2171
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0092 0.0374
Toxoplasma gondii isocitrate dehydrogenase 0.0096 0.0536 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0392 0.6763
Onchocerca volvulus 0.0043 0.0092 0.0092
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0039 0.0158
Schistosoma mansoni hypothetical protein 0.0095 0.0525 0.2126
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0162 0.0657
Brugia malayi beta-lactamase 0.0043 0.0092 0.0092
Schistosoma mansoni smad1 5 8 and 0.0058 0.0214 0.0867
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0096 0.0536 1
Trichomonas vaginalis esterase, putative 0.0043 0.0092 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0096 0.0536 0.2171
Loa Loa (eye worm) hypothetical protein 0.0299 0.2254 0.2254
Schistosoma mansoni tar DNA-binding protein 0.0324 0.2469 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0095 0.0525 0.0525
Brugia malayi hypothetical protein 0.0049 0.0143 0.0143
Echinococcus granulosus smad 0.0058 0.0214 0.0867
Echinococcus multilocularis GPCR, family 2 0.0095 0.0525 0.2126
Loa Loa (eye worm) hypothetical protein 0.0043 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.0079 0.0392 0.0392
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0392 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0096 0.0536 1
Brugia malayi latrophilin 2 splice variant baaae 0.0204 0.1454 0.1454
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0392 0.5
Echinococcus multilocularis tar DNA binding protein 0.0324 0.2469 1
Schistosoma mansoni tar DNA-binding protein 0.0324 0.2469 1
Trypanosoma brucei PAB1-binding protein , putative 0.0077 0.0373 0.6324
Leishmania major hypothetical protein, conserved 0.0077 0.0373 0.6324
Loa Loa (eye worm) MH2 domain-containing protein 0.0849 0.6914 0.6914
Schistosoma mansoni tar DNA-binding protein 0.0324 0.2469 1
Entamoeba histolytica hypothetical protein 0.0037 0.0039 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.0373 0.0373
Brugia malayi Latrophilin receptor protein 2 0.0095 0.0525 0.0525
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0324 0.2469 0.2469
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0373 0.6324
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2077 1
Toxoplasma gondii isocitrate dehydrogenase 0.0096 0.0536 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0299 0.2254 0.2254
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0015 0.0061
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0095 0.0525 0.0525
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0092 0.0374
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0162 0.2326
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0392 0.6763
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0039 0.0158
Brugia malayi MH1 domain containing protein 0.0058 0.0214 0.0214
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0392 0.159
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0096 0.0536 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0058 0.0214 0.0214
Brugia malayi hypothetical protein 0.0077 0.0373 0.0373
Loa Loa (eye worm) isocitrate dehydrogenase 0.0096 0.0536 0.0536
Loa Loa (eye worm) hypothetical protein 0.0043 0.0092 0.0092
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0373 0.6324
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0092 0.0092
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0299 0.2254 0.2254
Entamoeba histolytica hypothetical protein 0.0037 0.0039 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0092 0.0374
Brugia malayi MH1 domain containing protein 0.0058 0.0214 0.0214
Loa Loa (eye worm) MH2 domain-containing protein 0.0058 0.0214 0.0214
Entamoeba histolytica hypothetical protein 0.0037 0.0039 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0015 0.0061
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0092 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0392 0.1195
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0392 1
Echinococcus granulosus tar DNA binding protein 0.0324 0.2469 1
Echinococcus granulosus GPCR family 2 0.0095 0.0525 0.2126
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0039 0.0158
Loa Loa (eye worm) TAR-binding protein 0.0324 0.2469 0.2469
Echinococcus granulosus Smad4 0.0058 0.0214 0.0867
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0092 0.5
Brugia malayi Smad1 0.0058 0.0214 0.0214
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0096 0.0536 0.2236
Schistosoma mansoni tar DNA-binding protein 0.0324 0.2469 1
Schistosoma mansoni smad1 5 8 and 0.0058 0.0214 0.0867
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0058 0.0214 0.0867
Loa Loa (eye worm) hypothetical protein 0.0043 0.0092 0.0092
Schistosoma mansoni smad 0.0058 0.0214 0.0867
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0092 0.0092
Loa Loa (eye worm) transcription factor SMAD2 0.0849 0.6914 0.6914
Brugia malayi Calcitonin receptor-like protein seb-1 0.0299 0.2254 0.2254

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0089 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 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
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.