Detailed information for compound 1323236

Basic information

Technical information
  • TDR Targets ID: 1323236
  • Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-met hoxy-5-methylphenyl)acetamide
  • MW: 357.422 | Formula: C20H24FN3O2
  • H donors: 1 H acceptors: 1 LogP: 3.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CN1CCN(CC1)c1ccc(cc1)F)C
  • InChi: 1S/C20H24FN3O2/c1-15-3-8-19(26-2)18(13-15)22-20(25)14-23-9-11-24(12-10-23)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
  • InChiKey: NJTDPASRULCSDW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide
  • 2-[4-(4-fluorophenyl)-1-piperazinyl]-N-(2-methoxy-5-methylphenyl)acetamide
  • 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide
  • MLS000035694
  • SMR000012428
  • BAS 03580466
  • 2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-(2-methoxy-5-methyl-phenyl)-acetamide
  • ST019230

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07611 lamin, 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
Echinococcus granulosus cytoplasmic 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
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Onchocerca volvulus 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 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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
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
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
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni lamin 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 intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin 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) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis SWI:SNF matrix associated 0.0215 0.3633 0.3633
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0076 0.1065 0.2407
Trichomonas vaginalis conserved hypothetical protein 0.0215 0.3633 0.5
Leishmania major hypothetical protein, conserved 0.0076 0.1065 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0076 0.1065 0.5
Onchocerca volvulus 0.0076 0.1065 0.2407
Chlamydia trachomatis DNA topoisomerase I 0.0215 0.3633 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0215 0.3633 0.3633
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0076 0.1065 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0215 0.3633 1
Schistosoma mansoni hypothetical protein 0.0076 0.1065 0.2931
Schistosoma mansoni fusion 0.0076 0.1065 0.2931
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0215 0.3633 0.3633
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0076 0.1065 0.1065
Trypanosoma brucei hypothetical protein, conserved 0.0076 0.1065 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0076 0.1065 0.5
Brugia malayi YY1-associated factor 2 0.0076 0.1065 0.2931
Plasmodium vivax hypothetical protein, conserved 0.0215 0.3633 0.5
Echinococcus multilocularis tumor protein p63 0.0372 0.6552 0.6552
Schistosoma mansoni hypothetical protein 0.0215 0.3633 1
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.1065 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.0251 0.0251
Schistosoma mansoni RNA binding protein 0.0076 0.1065 0.2931
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0076 0.1065 0.2931
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0251 0.069
Echinococcus granulosus zinc finger protein Ran binding 0.0076 0.1065 0.1065
Schistosoma mansoni hypothetical protein 0.0041 0.041 0.1128
Onchocerca volvulus 0.0215 0.3633 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.1065 0.2931
Onchocerca volvulus 0.0076 0.1065 0.2407
Brugia malayi intermediate filament protein 0.0033 0.0251 0.069
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0076 0.1065 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0215 0.3633 0.3633
Echinococcus granulosus lamin 0.0033 0.0251 0.0251
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0215 0.3633 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.1065 0.2931
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0215 0.3633 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0076 0.1065 0.2931
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.1065 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0076 0.1065 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0076 0.1065 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0558 1 1
Echinococcus multilocularis zinc finger protein Ran binding 0.0076 0.1065 0.1065
Onchocerca volvulus 0.0055 0.0658 0.1203
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.1065 0.5
Brugia malayi brahma associated protein 60 kDa 0.0215 0.3633 1
Echinococcus multilocularis neuropeptide s receptor 0.0558 1 1
Loa Loa (eye worm) brahma associated protein 0.0215 0.3633 1
Schistosoma mansoni brg-1 associated factor 0.0215 0.3633 1
Schistosoma mansoni lamin 0.0033 0.0251 0.069
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.041 0.1128
Schistosoma mansoni hypothetical protein 0.0215 0.3633 1
Chlamydia trachomatis SWIB complex protein 0.0215 0.3633 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0076 0.1065 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.024 0.0659
Loa Loa (eye worm) hypothetical protein 0.0076 0.1065 0.2931
Schistosoma mansoni TRABID protein (C64 family) 0.0076 0.1065 0.2931
Trypanosoma brucei hypothetical protein, conserved 0.0076 0.1065 0.5
Schistosoma mansoni zinc finger protein 0.0076 0.1065 0.2931
Schistosoma mansoni hypothetical protein 0.0205 0.3441 0.947
Leishmania major hypothetical protein, conserved 0.0076 0.1065 0.5
Echinococcus granulosus ring and YY1 binding protein 0.0076 0.1065 0.1065
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0076 0.1065 0.2931
Echinococcus granulosus Zinc finger RanBP2 type 0.0076 0.1065 0.1065
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0763 0.21
Echinococcus granulosus lamin dm0 0.0033 0.0251 0.0251
Echinococcus granulosus intermediate filament protein 0.0033 0.0251 0.0251
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0763 0.21
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0215 0.3633 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0251 0.069
Echinococcus multilocularis SWI:SNF matrix associated 0.0215 0.3633 0.3633
Echinococcus multilocularis musashi 0.0033 0.0251 0.0251
Leishmania major hypothetical protein, conserved 0.0076 0.1065 0.5
Echinococcus granulosus geminin 0.0205 0.3441 0.3441
Echinococcus multilocularis ring and YY1 binding protein 0.0076 0.1065 0.1065
Onchocerca volvulus 0.0076 0.1065 0.2407
Leishmania major hypothetical protein, conserved 0.0076 0.1065 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0763 0.21
Schistosoma mansoni hypothetical protein 0.0205 0.3441 0.947
Loa Loa (eye worm) hypothetical protein 0.0076 0.1065 0.2931
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0076 0.1065 0.1065
Onchocerca volvulus 0.0076 0.1065 0.2407
Brugia malayi brahma associated protein 60 kDa 0.0215 0.3633 1
Schistosoma mansoni hypothetical protein 0.0215 0.3633 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0076 0.1065 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.0251 0.069
Loa Loa (eye worm) hypothetical protein 0.006 0.0763 0.21
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0251 0.069
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0215 0.3633 1
Leishmania major hypothetical protein, conserved 0.0076 0.1065 0.5
Echinococcus granulosus tumor protein p63 0.0372 0.6552 0.6552
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0215 0.3633 0.5
Schistosoma mansoni lamin 0.0033 0.0251 0.069
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0076 0.1065 0.1065
Brugia malayi SWIB/MDM2 domain containing protein 0.0215 0.3633 1
Echinococcus multilocularis lamin 0.0033 0.0251 0.0251
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0076 0.1065 0.5
Echinococcus multilocularis geminin 0.0205 0.3441 0.3441
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0251 0.069
Loa Loa (eye worm) hypothetical protein 0.0076 0.1065 0.2931
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0076 0.1065 0.2931
Loa Loa (eye worm) hypothetical protein 0.0055 0.0658 0.181
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0658 0.181
Loa Loa (eye worm) hypothetical protein 0.0041 0.041 0.1128
Echinococcus granulosus neuropeptide receptor A26 0.0558 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0215 0.3633 0.3633

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 5.8584 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 22.3872 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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