Detailed information for compound 740101

Basic information

Technical information
  • TDR Targets ID: 740101
  • Name: 4-[(3-fluorophenyl)methyl]-N-(2-methylphenyl) piperazine-1-carboxamide
  • MW: 327.396 | Formula: C19H22FN3O
  • H donors: 1 H acceptors: 1 LogP: 2.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)CN1CCN(CC1)C(=O)Nc1ccccc1C
  • InChi: 1S/C19H22FN3O/c1-15-5-2-3-8-18(15)21-19(24)23-11-9-22(10-12-23)14-16-6-4-7-17(20)13-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
  • InChiKey: FXDFWNDTZDUQJK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(3-fluorophenyl)methyl]-N-(2-methylphenyl)-1-piperazinecarboxamide
  • 4-(3-fluorobenzyl)-N-(2-methylphenyl)piperazine-1-carboxamide
  • IVK/0018273

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
Onchocerca volvulus 0.003 0.0552 0.0097
Onchocerca volvulus 0.0167 0.3875 0.4211
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.119 0.3094
Loa Loa (eye worm) hypothetical protein 0.0026 0.0473 0.0488
Brugia malayi hypothetical protein 0.0026 0.0473 0.0491
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0026 0.0473 0.0458
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0709 0.0695
Schistosoma mansoni endonuclease related 0.01 0.2263 0.2251
Loa Loa (eye worm) hypothetical protein 0.0167 0.3875 0.4493
Echinococcus granulosus cpg binding protein 0.0031 0.0593 0.0578
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0167 0.3875 0.3865
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0167 0.3875 0.3865
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0167 0.3875 0.3865
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0026 0.0473 0.0488
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0709 1
Schistosoma mansoni intermediate filament proteins 0.0029 0.0546 0.0531
Leishmania major hypothetical protein, conserved 0.0036 0.0709 0.1319
Onchocerca volvulus 0.036 0.8551 1
Leishmania major endonuclease G, putative 0.01 0.2263 1
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.01 0.2263 1
Trypanosoma brucei endonuclease G, putative 0.01 0.2263 1
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0167 0.3875 0.4495
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0141 0.324 0.3229
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0709 0.1319
Brugia malayi Thrombospondin type 1 domain containing protein 0.036 0.8551 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0709 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0141 0.324 0.3229
Trichomonas vaginalis esterase, putative 0.0036 0.0709 1
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0026 0.0473 0.0458
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.036 0.8551 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0709 1
Schistosoma mansoni hypothetical protein 0.042 1 1
Echinococcus multilocularis tumor protein p63 0.0338 0.8012 0.8009
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0167 0.3875 0.3865
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.5403 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0546 0.0576
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0026 0.0473 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0473 0.0488
Schistosoma mansoni hypothetical protein 0.0026 0.0473 0.0458
Brugia malayi AEL166Cp 0.0026 0.0473 0.0491
Loa Loa (eye worm) hypothetical protein 0.0036 0.0709 0.0766
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0709 1
Echinococcus multilocularis ectonucleotide 0.0141 0.324 0.3229
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0026 0.0473 0.0491
Echinococcus multilocularis lamin 0.0029 0.0546 0.0531
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0709 0.0695
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0167 0.3875 0.3865
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0026 0.0473 0.0458
Echinococcus multilocularis transferase 0.0026 0.0473 0.0458
Loa Loa (eye worm) hypothetical protein 0.0036 0.0709 0.0766
Schistosoma mansoni cpg binding protein 0.003 0.0552 0.0537
Trypanosoma cruzi endonuclease G, putative 0.01 0.2263 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0167 0.3875 0.3865
Echinococcus granulosus Endonuclease G 0.01 0.2263 0.2251
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0167 0.3875 0.3865
Loa Loa (eye worm) hypothetical protein 0.0036 0.0709 0.0766
Echinococcus multilocularis Endonuclease G 0.01 0.2263 0.2251
Loa Loa (eye worm) hypothetical protein 0.0036 0.0709 0.0766
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.01 0.2263 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0217 0.0186
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0167 0.3875 0.3865
Loa Loa (eye worm) hypothetical protein 0.0167 0.3875 0.4493
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0709 1
Trypanosoma brucei endonuclease G, putative 0.01 0.2263 1
Echinococcus multilocularis dnaJ subfamily B 0.042 1 1
Onchocerca volvulus 0.0036 0.0709 0.0292
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0026 0.0473 0.0458
Schistosoma mansoni hypothetical protein 0.036 0.8551 0.8549
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0026 0.0473 0.5
Schistosoma mansoni hypothetical protein 0.0026 0.0473 0.0458
Onchocerca volvulus 0.0036 0.0709 0.0292
Onchocerca volvulus 0.0036 0.0709 0.0292
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0709 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0709 0.0695
Brugia malayi hypothetical protein 0.0026 0.0473 0.0491
Loa Loa (eye worm) hypothetical protein 0.0014 0.018 0.0142
Loa Loa (eye worm) hypothetical protein 0.0049 0.1035 0.1149
Echinococcus granulosus tumor protein p63 0.0338 0.8012 0.8009
Schistosoma mansoni lamin 0.0029 0.0546 0.0531
Schistosoma mansoni lamin 0.0029 0.0546 0.0531
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0167 0.3875 0.3865
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.01 0.2263 1
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0709 1
Onchocerca volvulus 0.0049 0.1035 0.0695
Onchocerca volvulus 0.0029 0.0546 0.009
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0026 0.0473 0.5
Brugia malayi beta-lactamase family protein 0.0036 0.0709 0.0769
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Echinococcus granulosus ectonucleotide 0.0141 0.324 0.3229
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0026 0.0473 0.0458
Brugia malayi endonuclease G, mitochondrial precursor 0.01 0.2263 0.2598
Mycobacterium ulcerans hypothetical protein 0.0036 0.0709 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Schistosoma mansoni cpg binding protein 0.0031 0.0593 0.0578
Brugia malayi beta-lactamase family protein 0.0036 0.0709 0.0769
Echinococcus multilocularis musashi 0.0029 0.0546 0.0531
Trypanosoma cruzi endonuclease G, putative 0.01 0.2263 1
Echinococcus multilocularis cpg binding protein 0.0031 0.0593 0.0578
Loa Loa (eye worm) hypothetical protein 0.0026 0.0473 0.0488
Echinococcus granulosus lamin dm0 0.0029 0.0546 0.0531
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0709 1
Schistosoma mansoni hypothetical protein 0.0026 0.0473 0.0458
Loa Loa (eye worm) hypothetical protein 0.0026 0.0473 0.0488
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0709 0.0766
Mycobacterium ulcerans lipase LipD 0.0036 0.0709 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0709 0.0766
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.018 0.0164
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0167 0.3875 0.3865
Onchocerca volvulus 0.0029 0.0546 0.009
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0167 0.3875 0.3865
Schistosoma mansoni hypothetical protein 0.0026 0.0473 0.0458
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1352 0.1338
Echinococcus granulosus intermediate filament protein 0.0029 0.0546 0.0531
Echinococcus multilocularis lamin dm0 0.0029 0.0546 0.0531
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0026 0.0473 0.5
Onchocerca volvulus 0.0167 0.3875 0.4211
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0552 0.058
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0167 0.3875 0.3865
Loa Loa (eye worm) hypothetical protein 0.0029 0.0533 0.0558
Loa Loa (eye worm) hypothetical protein 0.0141 0.324 0.3745
Mycobacterium ulcerans beta-lactamase 0.0036 0.0709 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0167 0.3875 0.3865
Schistosoma mansoni cpg binding protein 0.0031 0.0593 0.0578
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0709 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0709 0.0695
Loa Loa (eye worm) hypothetical protein 0.0014 0.0167 0.0127
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0546 0.0573
Loa Loa (eye worm) beta-lactamase 0.0036 0.0709 0.0766
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.018 0.0164
Loa Loa (eye worm) hypothetical protein 0.0036 0.0709 0.0766
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0026 0.0473 0.0458
Brugia malayi intermediate filament protein 0.0029 0.0546 0.0576
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0167 0.3875 0.3865
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0026 0.0473 0.0458
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0546 0.0573
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0709 0.0769
Loa Loa (eye worm) hypothetical protein 0.0014 0.0167 0.0127
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0167 0.3875 0.3865
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0709 1
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.1035 0.1021
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0217 0.019
Loa Loa (eye worm) hypothetical protein 0.0029 0.0546 0.0573
Trypanosoma brucei endonuclease G, putative 0.01 0.2263 1
Echinococcus granulosus transferase 0.0026 0.0473 0.0458
Brugia malayi beta-lactamase 0.0036 0.0709 0.0769
Echinococcus granulosus lamin 0.0029 0.0546 0.0531
Brugia malayi CXXC zinc finger family protein 0.003 0.0552 0.0583
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.01 0.2263 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0026 0.0473 0.0458
Loa Loa (eye worm) hypothetical protein 0.0167 0.3875 0.4493

Activities

No activities found for this compound.

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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