Detailed information for compound 1319352

Basic information

Technical information
  • TDR Targets ID: 1319352
  • Name: 2-(2-fluorophenyl)-4-[4-(4-methoxyphenyl)pipe razin-1-yl]quinazoline
  • MW: 414.475 | Formula: C25H23FN4O
  • H donors: 0 H acceptors: 2 LogP: 5.32 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1CCN(CC1)c1nc(nc2c1cccc2)c1ccccc1F
  • InChi: 1S/C25H23FN4O/c1-31-19-12-10-18(11-13-19)29-14-16-30(17-15-29)25-21-7-3-5-9-23(21)27-24(28-25)20-6-2-4-8-22(20)26/h2-13H,14-17H2,1H3
  • InChiKey: MOWURCITASESBF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-fluorophenyl)-4-[4-(4-methoxyphenyl)-1-piperazinyl]quinazoline
  • NCGC00140883-01
  • Oprea1_050075
  • K841-0212

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus cytoplasmic intermediate filament protein 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
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
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_131570 All targets in OG5_131570
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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis 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
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Lamin-C, putative 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 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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) 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
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_131570 All targets in OG5_131570
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis zinc finger protein 0.0024 0.0231 0.0866
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0484 0.5
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0117 0.0291
Brugia malayi intermediate filament protein 0.0033 0.0563 0.0646
Echinococcus granulosus lamin dm0 0.0033 0.0563 0.2548
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1592 0.1828
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0117 0.0291
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0693 0.3033
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0563 0.0646
Loa Loa (eye worm) hypothetical protein 0.0057 0.1459 0.1676
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0145 0.0166
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0117 0.0366
Loa Loa (eye worm) hypothetical protein 0.0032 0.0541 0.0621
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1592 0.1828
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2035 1
Schistosoma mansoni hypothetical protein 0.0019 0.006 0.0099
Brugia malayi Latrophilin receptor protein 2 0.0019 0.006 0.0069
Loa Loa (eye worm) hypothetical protein 0.0019 0.006 0.0069
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0364 0.1541
Loa Loa (eye worm) hypothetical protein 0.0052 0.1268 0.1456
Brugia malayi Bromodomain containing protein 0.0091 0.2722 0.3127
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.006 0.0069
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0966 0.4589
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.006 0.0069
Plasmodium vivax SET domain protein, putative 0.0036 0.0693 1
Brugia malayi hypothetical protein 0.002 0.0082 0.0094
Schistosoma mansoni hypothetical protein 0.0019 0.006 0.0099
Echinococcus granulosus intermediate filament protein 0.0033 0.0563 0.2548
Schistosoma mansoni hypothetical protein 0.0019 0.006 0.0099
Echinococcus granulosus lamin 0.0033 0.0563 0.2548
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0364 0.151
Loa Loa (eye worm) hypothetical protein 0.003 0.0484 0.0556
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0693 0.3205
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1459 0.6587
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0693 0.3033
Echinococcus granulosus zinc finger protein 0.0024 0.0231 0.0866
Loa Loa (eye worm) hypothetical protein 0.0085 0.253 0.2906
Schistosoma mansoni intermediate filament proteins 0.0033 0.0563 0.2432
Echinococcus multilocularis lamin dm0 0.0033 0.0563 0.2548
Schistosoma mansoni hypothetical protein 0.0025 0.0278 0.1112
Schistosoma mansoni lamin 0.0033 0.0563 0.2432
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0484 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0883 0.1014
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1459 0.6587
Brugia malayi hypothetical protein 0.003 0.0484 0.0556
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0278 0.0319
Schistosoma mansoni lamin 0.0033 0.0563 0.2432
Loa Loa (eye worm) hypothetical protein 0.0033 0.0563 0.0646
Loa Loa (eye worm) hypothetical protein 0.006 0.1592 0.1828
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.1459 0.7087
Loa Loa (eye worm) hypothetical protein 0.0046 0.1076 0.1235
Echinococcus multilocularis musashi 0.0033 0.0563 0.2548
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0563 0.0646
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0484 1
Trichomonas vaginalis set domain proteins, putative 0.0286 1 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.2195 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8707 1
Leishmania major hypothetical protein, conserved 0.003 0.0484 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0966 0.4589
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0484 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2035 1
Echinococcus multilocularis lamin 0.0033 0.0563 0.2548
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0117 0.0366
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0364 0.1541
Brugia malayi Pre-SET motif family protein 0.0251 0.8707 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0693 0.0795
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0693 1
Schistosoma mansoni zinc finger protein 0.0024 0.0231 0.0891
Brugia malayi Bromodomain containing protein 0.0046 0.1072 0.1232
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0883 0.1014
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0484 1
Schistosoma mansoni hypothetical protein 0.0019 0.006 0.0099
Brugia malayi PHD-finger family protein 0.003 0.047 0.054
Loa Loa (eye worm) hypothetical protein 0.0049 0.1182 0.1357
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0643 0.2955
Onchocerca volvulus 0.0036 0.0693 0.0137
Schistosoma mansoni hypothetical protein 0.0041 0.0883 0.3914
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.1459 0.7087
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0563 0.0646
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1592 0.1828

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.1778 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 22.3872 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) = 25.1189 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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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