Detailed information for compound 1068965

Basic information

Technical information
  • TDR Targets ID: 1068965
  • Name: 4-[(E)-2-(5,8-dimethoxyquinolin-4-yl)ethenyl] -N,N-dimethylaniline
  • MW: 334.412 | Formula: C21H22N2O2
  • H donors: 0 H acceptors: 1 LogP: 4.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c2c1c(ccn2)/C=C/c1ccc(cc1)N(C)C)OC
  • InChi: 1S/C21H22N2O2/c1-23(2)17-9-6-15(7-10-17)5-8-16-13-14-22-21-19(25-4)12-11-18(24-3)20(16)21/h5-14H,1-4H3/b8-5+
  • InChiKey: BXTQTAIINSWRAT-VMPITWQZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-(5,8-dimethoxyquinolin-4-yl)ethenyl]-N,N-dimethylaniline
  • 4-[(E)-2-(5,8-dimethoxy-4-quinolyl)vinyl]-N,N-dimethyl-aniline
  • 4-[2-(5,8-dimethoxy-4-quinolyl)vinyl]-N,N-dimethyl-aniline
  • 4-[2-(5,8-dimethoxy-4-quinolyl)vinyl]-N,N-dimethylaniline
  • 4-[(E)-2-(5,8-dimethoxy-4-quinolyl)vinyl]-N,N-dimethylaniline
  • [4-[2-(5,8-dimethoxy-4-quinolyl)vinyl]phenyl]-dimethyl-amine
  • [4-[(E)-2-(5,8-dimethoxy-4-quinolyl)vinyl]phenyl]-dimethyl-amine
  • 4-[2-(5,8-dimethoxyquinolin-4-yl)ethenyl]-N,N-dimethyl-aniline
  • 4-[(E)-2-(5,8-dimethoxyquinolin-4-yl)ethenyl]-N,N-dimethyl-aniline
  • 801-98-9
  • Quinoline, 5,8-dimethoxy-4-(p-(dimethylamino)styryl)-
  • VB5150000
  • NCI60_002175
  • NSC268789
  • 5,8-Dimethoxy-4-(p-(dimethylamino)styryl)quinoline

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0171 0.7064
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0171 0.0599
Schistosoma mansoni flap endonuclease-1 0.0028 0.01 0.0618
Loa Loa (eye worm) hypothetical protein 0.0028 0.01 0.0831
Entamoeba histolytica hypothetical protein 0.0035 0.0162 0.7863
Entamoeba histolytica Flap nuclease, putative 0.0031 0.0129 0.6081
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0038 0.0186 0.0258
Schistosoma mansoni inositol monophosphatase 0.0036 0.0171 0.1051
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0129 0.5155
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0202 1
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.01 0.0325
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0037 0.0178 0.0627
Echinococcus granulosus geminin 0.0191 0.1625 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0202 0.0718
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0015 0.0128
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0129 0.0437
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0162 0.0997
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0171 0.0599
Echinococcus granulosus expressed protein 0.0038 0.0186 0.1147
Loa Loa (eye worm) hypothetical protein 0.0056 0.036 0.3001
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0171 0.0599
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0692 0.5766
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0235 1
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.01 0.0325
Entamoeba histolytica hypothetical protein 0.0035 0.0162 0.7863
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0129 0.0792
Echinococcus multilocularis geminin 0.0191 0.1625 1
Entamoeba histolytica hypothetical protein 0.0035 0.0162 0.7863
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0692 0.426
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0037 0.0178 0.0627
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0235 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0235 0.1448
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0235 0.0847
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.12 0.7388
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0129 0.0437
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0171 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.036 0.0499
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.01 0.0325
Toxoplasma gondii RNA-directed DNA polymerase 0.0296 0.261 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0171 0.0599
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0162 0.0997
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0135 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0194 0.0268
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0037 0.0178 0.0627
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0038 0.0186 0.1553
Echinococcus granulosus flap endonuclease 1 0.0031 0.0129 0.0792
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0171 0.8333
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0015 0.5
Schistosoma mansoni inositol monophosphatase 0.0036 0.0171 0.1051
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.01 0.0325
Plasmodium falciparum flap endonuclease 1 0.0031 0.0129 0.0437
Schistosoma mansoni hypothetical protein 0.0191 0.1625 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0692 0.426
Schistosoma mansoni ap endonuclease 0.0019 0.0015 0.0095
Schistosoma mansoni rotamase 0.0038 0.0186 0.1147
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0037 0.0178 0.0627
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0037 0.0178 0.8726
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0015 0.0095
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.1162 0.7152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0692 0.426
Loa Loa (eye worm) acetyltransferase 0.0145 0.12 1
Loa Loa (eye worm) inositol-1 0.0036 0.0171 0.1422
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.0129 0.0437
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0296 0.261 1
Giardia lamblia Telomerase catalytic subunit 0.0296 0.261 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.01 0.0325
Plasmodium falciparum telomerase reverse transcriptase 0.0296 0.261 1
Leishmania major telomerase reverse transcriptase, putative 0.0296 0.261 1
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0129 0.0437
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0186 0.7775
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0692 0.426
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0202 0.0718
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0015 0.0021
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0171 0.1051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0692 0.426
Schistosoma mansoni hypothetical protein 0.0191 0.1625 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.01 0.0325
Leishmania major hypothetical protein, conserved 0.0028 0.01 0.0325
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.12 0.7388
Brugia malayi hypothetical protein 0.0018 0.0005 0.0007
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0171 0.7064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0692 0.426
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0235 0.0847
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0171 1
Brugia malayi hypothetical protein 0.0035 0.0162 0.0224
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0135 0.5
Brugia malayi Telomerase reverse transcriptase 0.0786 0.7223 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0692 0.426
Trypanosoma brucei telomerase reverse transcriptase 0.0296 0.261 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0296 0.261 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.036 0.0499
Schistosoma mansoni hypothetical protein 0.0035 0.0162 0.0997
Schistosoma mansoni ap endonuclease 0.0019 0.0015 0.0095
Toxoplasma gondii peptidylprolyl isomerase 0.0037 0.0178 0.0627
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0129 0.0437
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0129 0.0437
Trichomonas vaginalis rotamase, putative 0.0037 0.0178 0.7397
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.036 0.3001
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0235 0.0847
Plasmodium vivax telomerase reverse transcriptase, putative 0.0296 0.261 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0162 0.0997
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.01 0.0325
Brugia malayi Flap endonuclease-1 0.0031 0.0129 0.0178
Brugia malayi Inositol-1 0.0036 0.0171 0.0236
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0015 0.0095
Brugia malayi hypothetical protein 0.0028 0.01 0.0138
Schistosoma mansoni hypothetical protein 0.0038 0.0194 0.1191
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0171 0.1051
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0171 0.7064
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.12 0.1662
Echinococcus multilocularis expressed protein 0.0038 0.0186 0.1147
Entamoeba histolytica hypothetical protein 0.0035 0.0162 0.7863
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0129 0.1073
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0171 0.0599
Trichomonas vaginalis rotamase, putative 0.0038 0.0186 0.7775
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0692 0.0958
Loa Loa (eye worm) hypothetical protein 0.0038 0.0194 0.1612

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.72 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.558 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.331 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.33 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.281 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.231 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.094 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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