Detailed information for compound 1548932

Basic information

Technical information
  • TDR Targets ID: 1548932
  • Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-me thylphenyl)methyl]acetamide
  • MW: 341.422 | Formula: C20H24FN3O
  • H donors: 1 H acceptors: 1 LogP: 3.16 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1CCN(CC1)c1ccc(cc1)F)NCc1ccc(cc1)C
  • InChi: 1S/C20H24FN3O/c1-16-2-4-17(5-3-16)14-22-20(25)15-23-10-12-24(13-11-23)19-8-6-18(21)7-9-19/h2-9H,10-15H2,1H3,(H,22,25)
  • InChiKey: AQUAZICCMOYEHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(4-fluorophenyl)-1-piperazinyl]-N-[(4-methylphenyl)methyl]acetamide
  • 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylbenzyl)acetamide
  • 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]ethanamide
  • 2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-(4-methyl-benzyl)-acetamide
  • ASN 03580519

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0387 1
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0677 0.0788
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.5557 0.5515
Echinococcus granulosus cpg binding protein 0.0062 0.3445 0.3383
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3306 0.4337
Schistosoma mansoni hypothetical protein 0.0168 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3306 0.4337
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0387 1
Schistosoma mansoni hypothetical protein 0.0019 0.074 0.0665
Echinococcus granulosus GPCR family 2 0.0019 0.074 0.0652
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.5557 0.7376
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0692 0.0807
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.5557 0.7376
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0692 0.0603
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.074 0.0873
Schistosoma mansoni cpg binding protein 0.0062 0.3445 0.3392
Schistosoma mansoni smad1 5 8 and 0.0009 0.0094 0.0013
Schistosoma mansoni cpg binding protein 0.0062 0.3445 0.3392
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0387 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3306 0.4337
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.5557 0.5521
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0387 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0387 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0387 1
Schistosoma mansoni hypothetical protein 0.0019 0.074 0.0665
Toxoplasma gondii histone lysine methyltransferase SET1 0.0112 0.6529 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.3306 0.4337
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.074 0.0652
Schistosoma mansoni smad1 5 8 and 0.0009 0.0094 0.0013
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0467 0.0377
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0467 0.0377
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.75 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0387 1
Schistosoma mansoni hypothetical protein 0.0168 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0387 1
Trichomonas vaginalis helicase, putative 0.0013 0.0387 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0094 0.0013
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.5557 0.5515
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0387 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0467 0.0377
Schistosoma mansoni Smad4 0.0009 0.0094 0.0013
Brugia malayi Latrophilin receptor protein 2 0.0019 0.074 0.0873
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0387 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.5557 0.5521
Brugia malayi CXXC zinc finger family protein 0.0059 0.3235 0.4241
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.074 0.0652
Echinococcus multilocularis GPCR, family 2 0.0019 0.074 0.0652
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0467 0.0377
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0387 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2118 0.2734
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0387 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.074 0.0873
Brugia malayi MH2 domain containing protein 0.0127 0.75 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.5557 0.5515
Echinococcus multilocularis geminin 0.0168 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.3235 0.4241
Schistosoma mansoni smad 0.0009 0.0094 0.0013
Loa Loa (eye worm) hypothetical protein 0.0019 0.074 0.0873
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.074 0.0652
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0692 0.0603
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0467 0.039
Schistosoma mansoni hypothetical protein 0.0019 0.074 0.0665
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.5557 0.5521
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.75 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.074 0.0652
Schistosoma mansoni cpg binding protein 0.0059 0.3235 0.318
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0387 1
Schistosoma mansoni hypothetical protein 0.0041 0.2118 0.2055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.5557 0.5515
Loa Loa (eye worm) hypothetical protein 0.0041 0.2118 0.2734
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0387 1
Echinococcus multilocularis cpg binding protein 0.0062 0.3445 0.3383
Onchocerca volvulus 0.0059 0.3235 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.7363 0.7342
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0387 1
Schistosoma mansoni hypothetical protein 0.0019 0.074 0.0665
Schistosoma mansoni smad1 5 8 and 0.0009 0.0094 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0387 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0387 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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 binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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