Detailed information for compound 200451

Basic information

Technical information
  • TDR Targets ID: 200451
  • Name: [8-methoxy-4-(2-methylanilino)quinolin-3-yl]- pyrrolidin-1-ylmethanone
  • MW: 361.437 | Formula: C22H23N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1ncc(c2Nc1ccccc1C)C(=O)N1CCCC1
  • InChi: 1S/C22H23N3O2/c1-15-8-3-4-10-18(15)24-20-16-9-7-11-19(27-2)21(16)23-14-17(20)22(26)25-12-5-6-13-25/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,23,24)
  • InChiKey: WEVWWDXBTQOSCT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [8-methoxy-4-(2-methylanilino)-3-quinolyl]-pyrrolidin-1-yl-methanone
  • [8-methoxy-4-(2-methylanilino)-3-quinolyl]-(1-pyrrolidinyl)methanone
  • [8-methoxy-4-[(2-methylphenyl)amino]quinolin-3-yl]-pyrrolidin-1-yl-methanone
  • [8-methoxy-4-(o-toluidino)-3-quinolyl]-pyrrolidino-methanone
  • [8-methoxy-4-[(2-methylphenyl)amino]quinolin-3-yl]-pyrrolidin-1-ylmethanone
  • [8-methoxy-4-[(2-methylphenyl)amino]-3-quinolyl]-pyrrolidin-1-yl-methanone
  • [8-methoxy-4-[(2-methylphenyl)amino]-3-quinolyl]-1-pyrrolidinylmethanone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase IV, putative 0.0019 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 1 1
Echinococcus multilocularis dna polymerase kappa 0.0019 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.9179 0.9179
Echinococcus granulosus dna polymerase eta 0.0019 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.9179 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.9179 0.5
Leishmania major DNA polymerase eta, putative 0.0019 1 1
Echinococcus multilocularis dna polymerase eta 0.0019 1 1
Giardia lamblia DINP protein human, muc B family 0.0019 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.9179 0.5
Trypanosoma brucei unspecified product 0.0019 1 1
Echinococcus granulosus dna polymerase kappa 0.0019 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 1 1
Leishmania major DNA polymerase kappa, putative 0.0019 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 1 1
Schistosoma mansoni DNA polymerase eta 0.0019 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 1 1
Toxoplasma gondii exonuclease III APE 0.0019 0.9179 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.9179 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 15 % Inhibition of pentagastrin stimulated gastric acid secretion in anesthetized rat at 10 umol/kg upon intravenous administration ChEMBL. 1326634
Inhibition (functional) = 15 % Inhibition of pentagastrin stimulated gastric acid secretion in anesthetized rat at 10 umol/kg upon intravenous administration ChEMBL. 1326634
Inhibition (binding) = 20 % Concentration required to inhibit the activity of K+ stimulated gastric ATPase at 100 microM ChEMBL. 1326634
Inhibition (binding) = 20 % Concentration required to inhibit the activity of K+ stimulated gastric ATPase at 100 microM ChEMBL. 1326634

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

1 literature reference was collected for this gene.

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