Detailed information for compound 894575

Basic information

Technical information
  • TDR Targets ID: 894575
  • Name: ethyl 2-methyl-4-oxo-3-prop-2-enyl-1H-quinoli ne-6-carboxylate
  • MW: 271.311 | Formula: C16H17NO3
  • H donors: 1 H acceptors: 3 LogP: 3.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCc1c(C)nc2c(c1O)cc(cc2)C(=O)OCC
  • InChi: 1S/C16H17NO3/c1-4-6-12-10(3)17-14-8-7-11(16(19)20-5-2)9-13(14)15(12)18/h4,7-9H,1,5-6H2,2-3H3,(H,17,18)
  • InChiKey: QVPKAUUPPPMXIA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 3-allyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
  • 3-allyl-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester
  • 3-allyl-4-keto-2-methyl-1H-quinoline-6-carboxylic acid ethyl ester
  • BIM-0013796.P001
  • CBMicro_013855
  • Oprea1_706074
  • Oprea1_821584
  • ZINC00345795
  • BB_NC-0436
  • 3-Allyl-4-hydroxy-2-methyl-quinoline-6-carboxylic acid ethyl ester
  • BAS 00333822

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
Onchocerca volvulus 0.0031 0.1023 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0059 0.2805 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0089 0.478 0.478
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3691 0.762
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3691 0.762
Loa Loa (eye worm) TAR-binding protein 0.0072 0.3691 0.3691
Loa Loa (eye worm) intermediate filament protein 0.0031 0.1023 0.1023
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.24 0.24
Echinococcus granulosus peptidase Clp S14 family 0.0059 0.2805 0.2805
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0202 0.0202
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0202 0.0098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.24 0.48
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0089 0.478 0.5
Echinococcus multilocularis muscleblind protein 0.0171 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.78 0.78
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.24 0.24
Onchocerca volvulus 0.0031 0.1023 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0202 0.0202
Echinococcus granulosus lamin 0.0031 0.1023 0.1023
Loa Loa (eye worm) hypothetical protein 0.0018 0.0202 0.0202
Schistosoma mansoni hypothetical protein 0.0039 0.1545 0.2932
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.24 0.24
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0202 0.0202
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0089 0.478 0.5
Echinococcus granulosus intermediate filament protein 0.0031 0.1023 0.1023
Brugia malayi Probable ClpP-like protease 0.0089 0.478 0.4725
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.1023 0.1023
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3691 0.762
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0202 0.0202
Echinococcus multilocularis lamin dm0 0.0031 0.1023 0.1023
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0089 0.478 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0089 0.478 1
Echinococcus multilocularis GPCR, family 2 0.0018 0.0202 0.0202
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0089 0.478 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.1545 0.1455
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.1023 0.0928
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0059 0.2805 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.78 0.78
Schistosoma mansoni intermediate filament proteins 0.0031 0.1023 0.1793
Loa Loa (eye worm) hypothetical protein 0.0031 0.1023 0.1023
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.24 0.24
Brugia malayi TAR-binding protein 0.0072 0.3691 0.3624
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0089 0.478 1
Echinococcus granulosus muscleblind protein 0.0171 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0089 0.478 0.478
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0089 0.478 0.5
Brugia malayi intermediate filament protein 0.0031 0.1023 0.0928
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.2701 0.2701
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0089 0.478 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.24 0.2319
Echinococcus multilocularis peptidase Clp (S14 family) 0.0059 0.2805 0.2805
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0089 0.478 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.24 0.48
Brugia malayi MH2 domain containing protein 0.0137 0.78 0.7777
Brugia malayi RNA binding protein 0.0072 0.3691 0.3624
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0202 0.0098
Echinococcus multilocularis lamin 0.0031 0.1023 0.1023
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.2701 0.2624
Schistosoma mansoni lamin 0.0031 0.1023 0.1793
Schistosoma mansoni lamin 0.0031 0.1023 0.1793
Loa Loa (eye worm) RNA binding protein 0.0072 0.3691 0.3691
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0202 0.0202
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3691 0.762
Loa Loa (eye worm) hypothetical protein 0.0039 0.1545 0.1545
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0105 0.0105
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0089 0.478 1
Echinococcus granulosus GPCR family 2 0.0018 0.0202 0.0202
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0089 0.478 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.24 0.24
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.24 0.48
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0089 0.478 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.2701 0.2701
Echinococcus multilocularis muscleblind protein 1 0.0171 1 1
Echinococcus granulosus tar DNA binding protein 0.0072 0.3691 0.3691
Echinococcus multilocularis tar DNA binding protein 0.0072 0.3691 0.3691
Echinococcus granulosus lamin dm0 0.0031 0.1023 0.1023
Echinococcus multilocularis musashi 0.0031 0.1023 0.1023
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0059 0.2805 0.4744
Loa Loa (eye worm) hypothetical protein 0.0171 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.3691 0.3691
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.3691 0.3624
Loa Loa (eye worm) hypothetical protein 0.003 0.0987 0.0987
Loa Loa (eye worm) hypothetical protein 0.0171 1 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.478 0.478
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3691 0.762
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.2701 0.2624

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.

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