Detailed information for compound 1588065

Basic information

Technical information
  • TDR Targets ID: 1588065
  • Name: 4-[(E)-2-(8-chloroquinolin-4-yl)ethenyl]-N,N- dimethylaniline
  • MW: 308.805 | Formula: C19H17ClN2
  • H donors: 0 H acceptors: 1 LogP: 5.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cc1)/C=C/c1ccnc2c1cccc2Cl)C
  • InChi: 1S/C19H17ClN2/c1-22(2)16-10-7-14(8-11-16)6-9-15-12-13-21-19-17(15)4-3-5-18(19)20/h3-13H,1-2H3/b9-6+
  • InChiKey: GEZCMBFIQLXVGN-RMKNXTFCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[2-(8-chloroquinolin-4-yl)ethenyl]-N,N-dimethylaniline
  • 4-[(E)-2-(8-chloro-4-quinolyl)vinyl]-N,N-dimethyl-aniline
  • 4-[2-(8-chloro-4-quinolyl)vinyl]-N,N-dimethyl-aniline
  • 4-[(E)-2-(8-chloro-4-quinolyl)vinyl]-N,N-dimethylaniline
  • 4-[2-(8-chloro-4-quinolyl)vinyl]-N,N-dimethylaniline
  • [4-[2-(8-chloro-4-quinolyl)vinyl]phenyl]-dimethyl-amine
  • [4-[(E)-2-(8-chloro-4-quinolyl)vinyl]phenyl]-dimethyl-amine
  • 4-[(E)-2-(8-chloroquinolin-4-yl)ethenyl]-N,N-dimethyl-aniline
  • 4-[2-(8-chloroquinolin-4-yl)ethenyl]-N,N-dimethyl-aniline
  • NSC268610

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi beta-lactamase family protein 0.0036 0.0313 0.0313
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0042 0.0384 0.0811
Trypanosoma brucei asparaginyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Brugia malayi beta-lactamase family protein 0.0036 0.0313 0.0313
Schistosoma mansoni lysyl-tRNA synthetase 0.0042 0.0384 0.0384
Giardia lamblia Aspartyl-tRNA synthetase 0.0042 0.0384 0.2814
Plasmodium falciparum aspartate--tRNA ligase 0.0042 0.0384 0.0811
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0419 0.0419
Schistosoma mansoni Smad4 0.001 0.0003 0.0003
Trypanosoma cruzi replication Factor A 28 kDa subunit, putative 0.0042 0.0384 0.0811
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0313 0.0313
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0313 0.0662
Schistosoma mansoni aspartyl-tRNA synthetase 0.0042 0.0384 0.0384
Plasmodium falciparum asparagine--tRNA ligase 0.0042 0.0384 0.0811
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0405 0.4734 0.4734
Plasmodium falciparum lysine--tRNA ligase 0.0042 0.0384 0.0811
Loa Loa (eye worm) hypothetical protein 0.0036 0.0313 0.0313
Plasmodium vivax lysine--tRNA ligase, putative 0.0042 0.0384 0.0811
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0313 0.0313
Brugia malayi Aspartyl-tRNA synthetase 0.0042 0.0384 0.0384
Brugia malayi hypothetical protein 0.0365 0.4252 0.4252
Plasmodium vivax asparagine--tRNA ligase, putative 0.0042 0.0384 0.0811
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0384 0.0811
Brugia malayi BRCA2 repeat family protein 0.0171 0.1928 0.1928
Plasmodium falciparum asparagine--tRNA ligase 0.0042 0.0384 0.0811
Leishmania major aspartyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0042 0.0384 1
Trichomonas vaginalis esterase, putative 0.0036 0.0313 0.0313
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE2 (DNA nucleotidyltransferase) 0.0042 0.0384 0.0307
Loa Loa (eye worm) hypothetical protein 0.0082 0.0866 0.0866
Leishmania major aspartyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0313 0.0313
Entamoeba histolytica replication factor A protein 1, putative 0.0364 0.4235 1
Schistosoma mansoni aspartyl-tRNA synthetase 0.0042 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.0036 0.0313 0.0313
Treponema pallidum aspartyl-tRNA synthetase 0.0042 0.0384 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0313 0.0662
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0365 0.4252 0.4252
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0419 0.0419
Chlamydia trachomatis aspartate--tRNA(Asp/Asn) ligase 0.0042 0.0384 0.5
Echinococcus multilocularis asparaginyl tRNA synthetase 0.0042 0.0384 0.0384
Trypanosoma cruzi asparaginyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0313 0.0313
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0313 0.0313
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0003 0.0003
Schistosoma mansoni aspartyl-tRNA synthetase 0.0042 0.0384 0.0384
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.161 0.161
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0003 0.0003
Loa Loa (eye worm) Smad1 0.001 0.0003 0.0003
Trichomonas vaginalis aspartyl/lysyl-tRNA synthetase, putative 0.0042 0.0384 0.0384
Echinococcus granulosus aspartyl tRNA synthetase cytoplasmic 0.0042 0.0384 0.0384
Mycobacterium leprae PROBABLE DNA POLYMERASE III (ALPHA CHAIN) DNAE1 (DNA NUCLEOTIDYLTRANSFERASE) 0.0042 0.0384 1
Echinococcus granulosus asparaginyl tRNA synthetase cytoplasmic 0.0042 0.0384 0.0384
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0419 0.0419
Loa Loa (eye worm) hypothetical protein 0.0042 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.0036 0.0313 0.0313
Onchocerca volvulus 0.0365 0.4252 0.4567
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0313 0.0313
Brugia malayi MH1 domain containing protein 0.001 0.0003 0.0003
Brugia malayi MH2 domain containing protein 0.0144 0.161 0.161
Giardia lamblia Lysyl-tRNA synthetase 0.0042 0.0384 0.2814
Plasmodium falciparum replication protein A1, large subunit 0.0405 0.4734 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0042 0.0384 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0313 0.0313
Schistosoma mansoni replication factor A 1 rfa1 0.0845 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0313 0.0313
Trypanosoma brucei aspartyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Trypanosoma brucei Replication factor A protein 1 0.0405 0.4734 1
Schistosoma mansoni aspartyl-tRNA synthetase 0.0042 0.0384 0.0384
Brugia malayi Asparaginyl-tRNA synthetase, cytoplasmic 0.0042 0.0384 0.0384
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0313 0.0313
Echinococcus granulosus asparaginyl tRNA synthetase, cytoplasmic 0.0042 0.0384 0.0384
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0419 0.0419
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0313 0.0313
Giardia lamblia Asparaginyl-tRNA synthetase 0.0042 0.0384 0.2814
Toxoplasma gondii OB-fold nucleic acid binding domain-containing protein 0.0212 0.2427 0.5127
Loa Loa (eye worm) hypothetical protein 0.0036 0.0313 0.0313
Schistosoma mansoni smad 0.001 0.0003 0.0003
Toxoplasma gondii aspartate-tRNA ligase 0.0042 0.0384 0.0811
Brugia malayi MH2 domain containing protein 0.001 0.0003 0.0003
Toxoplasma gondii hypothetical protein 0.0089 0.0948 0.2002
Leishmania major replication factor A, 51kDa subunit, putative 0.0405 0.4734 1
Leishmania major lysyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.262 1
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0405 0.4734 1
Plasmodium vivax asparagine--tRNA ligase, putative 0.0042 0.0384 0.0811
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0042 0.0384 0.0384
Echinococcus multilocularis asparaginyl tRNA synthetase, cytoplasmic 0.0042 0.0384 0.0384
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE1 (DNA nucleotidyltransferase) 0.0042 0.0384 0.0307
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.161 0.161
Leishmania major hypothetical protein, conserved 0.0036 0.0313 0.0662
Schistosoma mansoni smad1 5 8 and 0.001 0.0003 0.0003
Toxoplasma gondii ABC1 family protein 0.0036 0.0313 0.0662
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0003 0.0003
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0036 0.0313 0.0313
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0082 0.0866 0.0641
Schistosoma mansoni lysyl-tRNA synthetase 0.0042 0.0384 0.0384
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Toxoplasma gondii lysine-tRNA ligase 0.0042 0.0384 0.0811
Giardia lamblia Hypothetical protein 0.0124 0.1365 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0419 0.0419
Treponema pallidum asparaginyl-tRNA synthetase 0.0042 0.0384 0.5
Schistosoma mansoni aspartyl-tRNA synthetase 0.0042 0.0384 0.0384
Echinococcus granulosus Smad4 0.001 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0042 0.0384 0.0384
Schistosoma mansoni aspartyl-tRNA synthetase 0.0042 0.0384 0.0384
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.0845 1 1
Mycobacterium ulcerans aspartyl-tRNA synthetase 0.0042 0.0384 1
Echinococcus granulosus lysyl tRNA synthetase 0.0042 0.0384 0.0384
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0313 0.0313
Brugia malayi Smad1 0.001 0.0003 0.0003
Trypanosoma brucei aspartyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Schistosoma mansoni aspartyl-tRNA synthetase 0.0042 0.0384 0.0384
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0804 0.9501 0.9501
Leishmania major lysyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0003 0.0003
Chlamydia trachomatis lysine--tRNA ligase 0.0042 0.0384 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0003 0.0003
Brugia malayi lysyl-tRNA synthetase 0.0042 0.0384 0.0384
Plasmodium vivax aspartate--tRNA ligase, putative 0.0042 0.0384 0.0811
Plasmodium vivax replication protein A1, large subunit, putative 0.0405 0.4734 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0313 0.0662
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.0845 1 1
Brugia malayi MH2 domain containing protein 0.001 0.0003 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0313 0.0662
Echinococcus multilocularis asparaginyl tRNA synthetase, cytoplasmic 0.0042 0.0384 0.0384
Leishmania major replication Factor A 28 kDa subunit, putative 0.0042 0.0384 0.0811
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0757 0.8938 1
Loa Loa (eye worm) aspartyl-tRNA synthetase 0.0042 0.0384 0.0384
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0845 1 1
Schistosoma mansoni aspartyl-tRNA synthetase 0.0042 0.0384 0.0384
Plasmodium falciparum nucleic acid binding protein, putative 0.0042 0.0384 0.0811
Brugia malayi beta-lactamase 0.0036 0.0313 0.0313
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0419 0.0419
Echinococcus multilocularis aspartyl tRNA synthetase, cytoplasmic 0.0042 0.0384 0.0384
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0845 1 1
Loa Loa (eye worm) 63kd antigen 0.0042 0.0384 0.0384
Wolbachia endosymbiont of Brugia malayi aspartyl-tRNA synthetase 0.0042 0.0384 0.5
Leishmania major asparaginyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0042 0.0384 1
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Schistosoma mansoni smad1 5 8 and 0.001 0.0003 0.0003
Echinococcus multilocularis smad 0.001 0.0003 0.0003
Echinococcus granulosus smad 0.001 0.0003 0.0003
Echinococcus multilocularis Smad4 0.001 0.0003 0.0003
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.0845 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0313 0.0313
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0419 0.0419
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0003 0.0003
Trypanosoma cruzi aspartyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Trypanosoma cruzi Replication factor A protein 1 0.0405 0.4734 1
Schistosoma mansoni aspartyl-tRNA synthetase 0.0042 0.0384 0.0384
Entamoeba histolytica replication factor A, putative 0.0082 0.0866 0.1251
Loa Loa (eye worm) BRCA2 repeat family protein 0.0171 0.1928 0.1928
Brugia malayi MH1 domain containing protein 0.001 0.0003 0.0003
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0042 0.0384 0.0811
Schistosoma mansoni smad1 5 8 and 0.001 0.0003 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0419 0.0419
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0419 0.0419
Echinococcus multilocularis lysyl tRNA synthetase 0.0042 0.0384 0.0384
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0042 0.0384 0.0811

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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

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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