Detailed information for compound 1520737

Basic information

Technical information
  • TDR Targets ID: 1520737
  • Name: 2-[2-(4-methoxyphenyl)ethyl]quinoline
  • MW: 263.334 | Formula: C18H17NO
  • H donors: 0 H acceptors: 1 LogP: 4.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCc1ccc2c(n1)cccc2
  • InChi: 1S/C18H17NO/c1-20-17-12-7-14(8-13-17)6-10-16-11-9-15-4-2-3-5-18(15)19-16/h2-5,7-9,11-13H,6,10H2,1H3
  • InChiKey: BZJANAWZCFSOIX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NSC10633

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Entamoeba histolytica hypothetical protein 0.1107 0.2152 1
Treponema pallidum thymidylate kinase (tmk) 0.0155 0.0204 0.5
Plasmodium vivax thymidylate kinase, putative 0.0155 0.0204 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.001 0.0047
Schistosoma mansoni thymidylate kinase 0.0155 0.0204 0.0204
Echinococcus multilocularis transfer RNA-Ile 0.494 1 1
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.494 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1107 0.2152 1
Schistosoma mansoni thymidylate kinase 0.0155 0.0204 0.0204
Brugia malayi hypothetical protein 0.0182 0.026 0.121
Echinococcus granulosus thymidylate kinase 0.0155 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.006 0.001 0.0047
Schistosoma mansoni hypothetical protein 0.0205 0.0306 0.0306
Echinococcus granulosus geminin 0.0205 0.0306 0.0306
Echinococcus granulosus NADH ubiquinone oxidoreductase 42 kDa subunit 0.1107 0.2152 0.2152
Entamoeba histolytica hypothetical protein 0.1107 0.2152 1
Leishmania major thymidylate kinase-like protein 0.0155 0.0204 1
Chlamydia trachomatis thymidylate kinase 0.0155 0.0204 0.5
Entamoeba histolytica hypothetical protein 0.1107 0.2152 1
Echinococcus multilocularis thymidylate kinase 0.0155 0.0204 0.0204
Plasmodium falciparum thymidylate kinase 0.0155 0.0204 0.5
Entamoeba histolytica hypothetical protein 0.1107 0.2152 1
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0155 0.0204 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1107 0.2152 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1107 0.2152 1
Schistosoma mansoni thymidine kinase 0.494 1 1
Giardia lamblia Deoxyguanosine kinase/deoxyadenosine kinase subunit, putative 0.1107 0.2152 0.7231
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1107 0.2152 1
Trypanosoma brucei thymidylate kinase, putative 0.0155 0.0204 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.001 0.0047
Entamoeba histolytica hypothetical protein 0.1107 0.2152 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.026 0.121
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1107 0.2152 1
Brugia malayi thymidylate kinase 0.0155 0.0204 0.0947
Trichomonas vaginalis conserved hypothetical protein 0.1107 0.2152 1
Giardia lamblia Hypothetical protein 0.1107 0.2152 0.7231
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0155 0.0204 0.5
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.1107 0.2152 0.2152
Trichomonas vaginalis conserved hypothetical protein 0.1107 0.2152 1
Loa Loa (eye worm) deoxynucleoside kinase 0.1107 0.2152 1
Entamoeba histolytica hypothetical protein 0.1107 0.2152 1
Toxoplasma gondii thymidylate kinase 0.0155 0.0204 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1107 0.2152 1
Giardia lamblia Hypothetical protein 0.1107 0.2152 0.7231
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.001 0.0047
Loa Loa (eye worm) thymidylate kinase 0.0155 0.0204 0.0947
Trypanosoma cruzi thymidylate kinase, putative 0.0155 0.0204 1
Entamoeba histolytica hypothetical protein 0.1107 0.2152 1
Giardia lamblia Deoxynucleoside kinase 0.1471 0.2898 1
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0155 0.0204 0.5
Echinococcus multilocularis geminin 0.0205 0.0306 0.0306
Echinococcus multilocularis NADH ubiquinone oxidoreductase 42 kDa subunit 0.1107 0.2152 0.2152
Echinococcus granulosus thymidine kinase 0.494 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1107 0.2152 1
Brugia malayi Deoxynucleoside kinase family protein 0.1107 0.2152 1
Echinococcus multilocularis thymidine kinase 0.494 1 1
Trypanosoma cruzi thymidylate kinase, putative 0.0155 0.0204 1
Onchocerca volvulus 0.0182 0.026 1
Entamoeba histolytica hypothetical protein 0.1107 0.2152 1
Schistosoma mansoni hypothetical protein 0.0205 0.0306 0.0306
Echinococcus multilocularis thymidine kinase 0.494 1 1
Entamoeba histolytica hypothetical protein 0.1107 0.2152 1
Mycobacterium ulcerans thymidylate kinase 0.0155 0.0204 0.5
Schistosoma mansoni hypothetical protein 0.0155 0.0204 0.0204
Trypanosoma brucei thymidylate kinase, putative 0.0155 0.0204 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (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 for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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