Detailed information for compound 1363727

Basic information

Technical information
  • TDR Targets ID: 1363727
  • Name: N-(4-fluorophenyl)-1-methyl-2-(2-morpholin-4- yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carb oxamide
  • MW: 406.431 | Formula: C18H19FN4O4S
  • H donors: 1 H acceptors: 3 LogP: 0.7 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)NC(=O)c1cnc(n(c1=O)C)SCC(=O)N1CCOCC1
  • InChi: 1S/C18H19FN4O4S/c1-22-17(26)14(16(25)21-13-4-2-12(19)3-5-13)10-20-18(22)28-11-15(24)23-6-8-27-9-7-23/h2-5,10H,6-9,11H2,1H3,(H,21,25)
  • InChiKey: FQLSJNBIIPQSKX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-fluorophenyl)-1-methyl-2-(2-morpholino-2-oxo-ethyl)sulfanyl-6-oxo-pyrimidine-5-carboxamide
  • N-(4-fluorophenyl)-1-methyl-2-[(2-morpholino-2-oxoethyl)thio]-6-oxo-5-pyrimidinecarboxamide
  • N-(4-fluorophenyl)-6-keto-2-[(2-keto-2-morpholino-ethyl)thio]-1-methyl-pyrimidine-5-carboxamide
  • N-(4-fluorophenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)sulfanyl-6-oxo-pyrimidine-5-carboxamide
  • NCGC00136222-01
  • ZINC04376162
  • G856-6393

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Intermediate filament tail domain containing 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lamin-C, 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
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein 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) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed 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
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
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
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0104 0.0529 0.0529
Toxoplasma gondii carbamoylphosphate synthetase 0.0104 0.0529 0.0529
Echinococcus multilocularis muscleblind protein 1 0.0151 0.0933 0.0933
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0163 0.1041 0.172
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0206 0.1404 0.5
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0163 0.1041 0.1041
Echinococcus multilocularis muscleblind protein 0.0151 0.0933 0.0933
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.058 0.0602
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1206 1 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0872 0.7136 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.0933 0.0968
Echinococcus granulosus geminin 0.0171 0.1107 0.1107
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0295 0.0295
Toxoplasma gondii pyruvate carboxylase 0.0459 0.3584 0.3584
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.011 0.058 0.1618
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0459 0.3584 0.5922
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6801 0.6801
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.058 0.5
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0163 0.1041 0.172
Schistosoma mansoni 6-phosphofructokinase 0.011 0.058 0.058
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0163 0.1041 0.1041
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0163 0.1041 0.1041
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0295 0.0306
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0459 0.3584 0.3584
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0163 0.1041 0.2905
Loa Loa (eye worm) RNA binding protein 0.0076 0.0295 0.0306
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1206 1 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0459 0.3585 0.3585
Trypanosoma brucei unspecified product 0.0302 0.2232 0.2232
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0459 0.3584 0.3584
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6801 0.6801
Echinococcus multilocularis geminin 0.0171 0.1107 0.1107
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0459 0.3584 1
Mycobacterium ulcerans pyruvate carboxylase 0.0459 0.3584 1
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.058 0.5
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0459 0.3584 0.5922
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0459 0.3584 1
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.058 0.5
Brugia malayi 6-phosphofructokinase 0.011 0.058 0.0602
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0163 0.1041 0.3233
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0104 0.0529 0.1476
Brugia malayi Muscleblind-like protein 0.0151 0.0933 0.0968
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0295 0.0295
Brugia malayi 6-phosphofructokinase 0.011 0.058 0.0602
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0104 0.0529 0.0874
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0459 0.3584 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.0746 0.6053 1
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1206 1 1
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0163 0.1041 0.2905
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0163 0.1041 0.2905
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0163 0.1041 0.1041
Trypanosoma brucei acetyl-CoA carboxylase 0.1206 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.058 0.5
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.011 0.058 0.1618
Mycobacterium ulcerans 6-phosphofructokinase 0.011 0.058 0.1618
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0163 0.1041 0.2905
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0163 0.1041 0.2905
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0459 0.3584 1
Schistosoma mansoni pyruvate carboxylase 0.0459 0.3584 0.3584
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0459 0.3584 0.3584
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6801 0.6801
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0459 0.3585 0.3585
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0295 0.0295
Brugia malayi Carboxyl transferase domain containing protein 0.1163 0.9637 1
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.058 0.0602
Plasmodium falciparum carbamoyl phosphate synthetase 0.0104 0.0529 0.0742
Schistosoma mansoni 6-phosphofructokinase 0.011 0.058 0.058
Schistosoma mansoni acetyl-CoA carboxylase 0.1206 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0295 0.0306
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0163 0.1041 0.2905
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0206 0.1404 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0459 0.3584 1
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0163 0.1041 0.1041
Brugia malayi phosphofructokinase 0.011 0.058 0.0602
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0163 0.1041 0.2905
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0295 0.0295
Schistosoma mansoni hypothetical protein 0.0171 0.1107 0.1107
Chlamydia trachomatis biotin carboxylase 0.0417 0.3221 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.0295 0.0295
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0104 0.0529 0.0874
Brugia malayi TAR-binding protein 0.0076 0.0295 0.0306
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.058 0.058
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0163 0.1041 0.1041
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0459 0.3584 1
Schistosoma mansoni hypothetical protein 0.0171 0.1107 0.1107
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0104 0.0529 0.0742
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0295 0.0295
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.058 0.0958
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0104 0.0529 0.0529
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0459 0.3584 0.3584
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0163 0.1041 0.172
Loa Loa (eye worm) phosphofructokinase 0.011 0.058 0.0602
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0163 0.1041 0.2905
Leishmania major carboxylase, putative 0.0459 0.3584 0.3584
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0104 0.0529 0.0529
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0295 0.0295
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1163 0.9637 1
Brugia malayi RNA binding protein 0.0076 0.0295 0.0306
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0163 0.1041 0.2905
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0295 0.0306
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0459 0.3584 0.3584
Echinococcus granulosus 6 phosphofructokinase 0.011 0.058 0.058
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0872 0.7136 1
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0163 0.1041 0.2905
Leishmania major acetyl-CoA carboxylase, putative 0.1206 1 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.0933 0.0968
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0163 0.1041 0.1041
Echinococcus granulosus muscleblind protein 0.0151 0.0933 0.0933
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.011 0.058 1
Schistosoma mansoni aspartate carbamoyltransferase 0.0104 0.0529 0.0529
Leishmania major ATP-dependent phosphofructokinase 0.011 0.058 0.058
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.058 0.058
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0163 0.1041 0.2905
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0459 0.3584 1
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0163 0.1041 0.2905
Leishmania major carbamoyl-phosphate synthase, putative 0.0104 0.0529 0.0529
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0104 0.0529 0.1476

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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