Detailed information for compound 782537

Basic information

Technical information
  • TDR Targets ID: 782537
  • Name: N-[(4-fluorophenyl)methyl]-3-[[2-(1-oxoisoqui nolin-2-yl)acetyl]amino]propanamide
  • MW: 381.4 | Formula: C21H20FN3O3
  • H donors: 2 H acceptors: 3 LogP: 1.7 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccc(cc1)F)CCNC(=O)Cn1ccc2c(c1=O)cccc2
  • InChi: 1S/C21H20FN3O3/c22-17-7-5-15(6-8-17)13-24-19(26)9-11-23-20(27)14-25-12-10-16-3-1-2-4-18(16)21(25)28/h1-8,10,12H,9,11,13-14H2,(H,23,27)(H,24,26)
  • InChiKey: IMCZANFCSLQIEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-fluorophenyl)methyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide
  • N-[(4-fluorophenyl)methyl]-3-[[1-oxo-2-(1-oxo-2-isoquinolyl)ethyl]amino]propanamide
  • N-(4-fluorobenzyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide
  • N-[(4-fluorophenyl)methyl]-3-[2-(1-oxoisoquinolin-2-yl)ethanoylamino]propanamide
  • EU-0023036

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
Brugia malayi SRC-1 0.0007 0.0012 0.0031
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0472 0.0472
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0007 0.0012 0.0012
Schistosoma mansoni tyrosine kinase 0.0209 0.294 0.294
Echinococcus multilocularis microtubule associated protein 2 0.0698 1 1
Schistosoma mansoni tyrosine kinase 0.0007 0.0012 0.0012
Schistosoma mansoni dihydrofolate reductase 0.0278 0.393 0.393
Echinococcus multilocularis c src tyrosine kinase 0.0007 0.0012 0.0012
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0012 0.0012
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0012 0.0012
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0007 0.0012 0.0012
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0012 0.0012
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0278 0.393 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0007 0.0012 0.0012
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0191 0.5
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0878 0.0878
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0278 0.393 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0878 0.2234
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0878 0.0878
Echinococcus granulosus tyrosine protein kinase Src64B 0.0007 0.0012 0.0012
Schistosoma mansoni tyrosine kinase 0.0007 0.0012 0.0012
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0191 0.0191
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0007 0.0012 0.0012
Echinococcus multilocularis dihydrofolate reductase 0.0278 0.393 0.393
Brugia malayi Tyrosine-protein kinase abl-1 0.0129 0.1775 0.4517
Brugia malayi Tyrosine-protein kinase abl-1 0.0087 0.1165 0.2965
Brugia malayi Dihydrofolate reductase 0.0278 0.393 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0213 0.2984 0.7594
Loa Loa (eye worm) SRC-1 0.0007 0.0012 0.0031
Schistosoma mansoni ap endonuclease 0.0019 0.0191 0.0191
Schistosoma mansoni ap endonuclease 0.0019 0.0191 0.0191
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0278 0.393 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0007 0.0012 0.0012
Loa Loa (eye worm) dihydrofolate reductase 0.0278 0.393 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0191 0.0487
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0213 0.2984 0.2984
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0007 0.0012 0.0012
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0878 0.1836
Echinococcus multilocularis tyrosine protein kinase Abl 0.0087 0.1165 0.1165
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0007 0.0012 0.0012
Echinococcus granulosus tyrosine protein kinase ABL1 0.0213 0.2984 0.2984
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0007 0.0012 0.0012
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0278 0.393 1
Chlamydia trachomatis dihydrofolate reductase 0.0278 0.393 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0191 0.5
Schistosoma mansoni tyrosine kinase 0.0007 0.0012 0.0012
Echinococcus granulosus tyrosine protein kinase Src42A 0.0007 0.0012 0.0012
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0878 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0878 0.1836
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0012 0.0012
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0278 0.393 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0278 0.393 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0878 0.1836
Echinococcus granulosus dihydrofolate reductase 0.0278 0.393 0.393
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0007 0.0012 0.0012
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0191 0.0487
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0012 0.0012
Echinococcus granulosus c src tyrosine kinase 0.0007 0.0012 0.0012
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0007 0.0012 0.0012
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0278 0.393 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0007 0.0012 0.0012
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0191 0.5
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0878 0.2234
Schistosoma mansoni tyrosine kinase 0.0007 0.0012 0.0012
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0878 0.0878
Schistosoma mansoni microtubule-associated protein tau 0.0698 1 1
Brugia malayi dihydrofolate reductase family protein 0.0278 0.393 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0191 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0878 0.1836
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0191 0.0191
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0007 0.0012 0.0012
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0278 0.393 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0191 0.5
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0472 0.0472
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0278 0.393 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0081 0.1078 0.2744

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.