Detailed information for compound 1379846

Basic information

Technical information
  • TDR Targets ID: 1379846
  • Name: N-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)pipe razin-1-yl]propanamide
  • MW: 357.422 | Formula: C20H24FN3O2
  • H donors: 1 H acceptors: 1 LogP: 2.73 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)CCC(=O)Nc1ccc(cc1)F
  • InChi: 1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-20(25)22-17-8-6-16(21)7-9-17/h2-9H,10-15H2,1H3,(H,22,25)
  • InChiKey: TXRRSNBTZBLLRR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]propanamide
  • N-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propionamide
  • Oprea1_619285
  • N-(4-Fluoro-phenyl)-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propionamide
  • Oprea1_187281
  • BAS 03086899
  • MLS001203666
  • SMR000518249
  • STK146293

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
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0011 0.0022
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0033 0.0356
Schistosoma mansoni hypothetical protein 0.0017 0.0024 0.0052
Entamoeba histolytica kinesin, putative 0.0078 0.0572 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0041 0.0519
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0077 0.0077
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0282 0.4819
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0011 0.0011
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.0811 0.8852
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0011 0.0011
Echinococcus multilocularis lamin dm0 0.0026 0.0104 0.0149
Toxoplasma gondii exonuclease III APE 0.0018 0.0033 0.0571
Schistosoma mansoni hypothetical protein 0.0179 0.147 0.321
Schistosoma mansoni ap endonuclease 0.0018 0.0033 0.0071
Brugia malayi hypothetical protein 0.0019 0.0041 0.0041
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0033 0.0033
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0011 0.0011
Echinococcus granulosus geminin 0.0179 0.147 0.2782
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0033 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0011 0.15
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0041 0.0058
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.036 0.036
Schistosoma mansoni polycystin 1-related 0.0019 0.0041 0.0089
Leishmania major cytochrome p450-like protein 0.0023 0.0077 0.0077
Schistosoma mansoni lamin 0.0026 0.0104 0.0227
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0077 0.0077
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0041 0.0058
Echinococcus multilocularis geminin 0.0179 0.147 0.2114
Plasmodium falciparum thioredoxin reductase 0.0046 0.0282 0.4819
Schistosoma mansoni lipoxygenase 0.008 0.0589 0.1286
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0041 0.0077
Schistosoma mansoni hypothetical protein 0.0179 0.147 0.321
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0041 0.0058
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.0811 0.8852
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0041 0.0077
Schistosoma mansoni ap endonuclease 0.0018 0.0033 0.0071
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0104 0.0104
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0011 0.0011
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0282 0.0282
Schistosoma mansoni rab6-interacting 0.0019 0.0041 0.0089
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0026 0.01 0.01
Echinococcus granulosus GPCR family 2 0.0017 0.0024 0.0045
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0033 0.0378
Echinococcus granulosus lamin dm0 0.0026 0.0104 0.0197
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0024 0.0024
Schistosoma mansoni loxhd1 0.0019 0.0041 0.0089
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0077 0.0077
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0011 0.0011
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0011 0.0011
Plasmodium falciparum kinesin-5 0.0078 0.0572 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0033 0.0033
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0282 0.0533
Echinococcus multilocularis GPCR, family 2 0.0017 0.0024 0.0034
Brugia malayi MH2 domain containing protein 0.0131 0.1047 0.1047
Schistosoma mansoni hypothetical protein 0.0019 0.0041 0.0089
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.0811 0.8852
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0017 0.0024 0.0052
Toxoplasma gondii thioredoxin reductase 0.0046 0.0282 0.4923
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0026 0.0104 0.0104
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0011 0.0011
Brugia malayi Kinesin motor domain containing protein 0.0078 0.0572 0.0572
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0024
Schistosoma mansoni rab6-interacting 0.0019 0.0041 0.0089
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0104 0.0104
Plasmodium vivax glutathione reductase, putative 0.0046 0.0282 0.4819
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0282 0.0405
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.1047 0.1047
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0041 0.0519
Loa Loa (eye worm) hypothetical protein 0.0019 0.0041 0.0041
Echinococcus granulosus kinesin family 1 0.0604 0.5285 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0282 0.0282
Schistosoma mansoni hypothetical protein 0.0017 0.0024 0.0052
Brugia malayi Doublecortin family protein 0.0019 0.0041 0.0041
Echinococcus multilocularis lamin 0.0026 0.0104 0.0149
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0011 0.0011
Echinococcus multilocularis RUN 0.0019 0.0041 0.0058
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0011 0.0025
Echinococcus granulosus intermediate filament protein 0.0026 0.0104 0.0197
Loa Loa (eye worm) kinesin-like protein KLP2 0.0078 0.0572 0.0572
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0024 0.0024
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0282 0.3073
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0011 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.113 1 1
Giardia lamblia Kinesin-5 0.0078 0.0572 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0104 0.0227
Schistosoma mansoni lipoxygenase 0.0115 0.0899 0.1963
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.0916 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.036 0.036
Schistosoma mansoni hypothetical protein 0.0017 0.0024 0.0052
Echinococcus multilocularis musashi 0.0026 0.0104 0.0149
Onchocerca volvulus 0.0026 0.0104 1
Leishmania major trypanothione reductase 0.0046 0.0282 0.0282
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.0899 0.1701
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0011 0.0011
Brugia malayi Cytochrome P450 family protein 0.0054 0.0355 0.0355
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0011 0.0201
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.0916 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0033 0.0033
Echinococcus granulosus lamin 0.0026 0.0104 0.0197
Loa Loa (eye worm) hypothetical protein 0.0038 0.0205 0.0205
Plasmodium falciparum glutathione reductase 0.0046 0.0282 0.4819
Trypanosoma brucei trypanothione reductase 0.0046 0.0282 0.0282
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0024 0.0045
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0033 1
Echinococcus multilocularis kinesin family 1 0.0604 0.5285 0.7598
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0011 0.0011
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0024 0.0034
Brugia malayi hypothetical protein 0.0019 0.0041 0.0041
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0033 0.0033
Schistosoma mansoni kinesin eg-5 0.0078 0.0572 0.1248
Schistosoma mansoni lamin 0.0026 0.0104 0.0227
Onchocerca volvulus 0.0026 0.0104 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0033 0.0047
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0011 0.0011
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0033 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.036 0.036
Loa Loa (eye worm) hypothetical protein 0.0019 0.0041 0.0041
Brugia malayi intermediate filament protein 0.0026 0.0104 0.0104
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0033 0.0378
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.0811 0.8852
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0033 0.0033
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0077 0.0077
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0011 0.0011
Brugia malayi glutathione reductase 0.0046 0.0282 0.0282
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.0811 0.8852
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0011 0.0017
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0077 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.113 1 1
Brugia malayi Cytochrome P450 family protein 0.0023 0.0077 0.0077
Plasmodium vivax kinesin-5 0.0078 0.0572 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.0899 0.1293
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.036 0.036
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0355 0.0355
Toxoplasma gondii kinesin motor domain-containing protein 0.0078 0.0572 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.079 0.6956 1
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0077 0.0077
Echinococcus granulosus RUN 0.0019 0.0041 0.0077
Schistosoma mansoni hypothetical protein 0.0038 0.0205 0.0447
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0033 0.0033
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0024 0.0045
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0041 0.0077
Schistosoma mansoni hypothetical protein 0.0526 0.4581 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0011 0.15
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.1047 0.1047
Loa Loa (eye worm) hypothetical protein 0.0577 0.5047 0.5047
Loa Loa (eye worm) hypothetical protein 0.113 1 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0011 0.0011
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0205 0.0205
Leishmania major C-8 sterol isomerase-like protein 0.113 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0033 0.4264
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0011 0.0011
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0033 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0011 0.15
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0033 0.0378
Brugia malayi Thioredoxin reductase 0.0046 0.0282 0.0282
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0011 0.0011
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0011 0.0011
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.0811 0.8852
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0041 0.0041
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0024 0.0034
Schistosoma mansoni amine GPCR 0.033 0.2832 0.6182
Mycobacterium tuberculosis Probable reductase 0.0105 0.0811 0.8852
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0011 0.0201
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.0916 1
Brugia malayi Cytochrome P450 family protein 0.0023 0.0077 0.0077
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0011 0.0125
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.0916 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.0282 0.0282
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0104 0.0104
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0033 0.0062

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 44.6684 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

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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