Detailed information for compound 802177

Basic information

Technical information
  • TDR Targets ID: 802177
  • Name: 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-methy lsulfanylphenyl)butanamide
  • MW: 382.476 | Formula: C21H22N2O3S
  • H donors: 1 H acceptors: 2 LogP: 2.88 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1cccc(c1)NC(=O)CCCOc1cc(=O)n(c2c1cccc2)C
  • InChi: 1S/C21H22N2O3S/c1-23-18-10-4-3-9-17(18)19(14-21(23)25)26-12-6-11-20(24)22-15-7-5-8-16(13-15)27-2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,24)
  • InChiKey: LDFPXLXFQZBETF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(1-methyl-2-oxo-4-quinolyl)oxy]-N-(3-methylsulfanylphenyl)butanamide
  • 4-[(1-methyl-2-oxo-4-quinolyl)oxy]-N-[3-(methylthio)phenyl]butanamide
  • 4-[(2-keto-1-methyl-4-quinolyl)oxy]-N-[3-(methylthio)phenyl]butyramide
  • 4-(1-methyl-2-oxo-quinolin-4-yl)oxy-N-(3-methylsulfanylphenyl)butanamide

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
Loa Loa (eye worm) hypothetical protein 0.0119 0.1142 0.135
Schistosoma mansoni serine/threonine protein kinase 0.0161 0.1809 0.163
Loa Loa (eye worm) hypothetical protein 0.0229 0.2912 0.3441
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.0523 0.0346
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0169 0.1937 0.229
Trypanosoma cruzi N-myristoyl transferase, putative 0.0573 0.8461 1
Schistosoma mansoni serine/threonine protein kinase 0.0232 0.2955 0.2802
Leishmania major N-myristoyl transferase, putative 0.0573 0.8461 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.0214 0.0224
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.2912 0.2779
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0161 0.1809 0.1655
Brugia malayi hypothetical protein 0.0119 0.1142 0.135
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.0523 0.0346
Echinococcus multilocularis dual specificity protein kinase clk2 0.0062 0.0214 0.003
Echinococcus granulosus dual specificity protein kinase clk2 0.0062 0.0214 0.003
Trypanosoma brucei N-myristoyl transferase, putative 0.0573 0.8461 1
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0573 0.8461 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0292 0.3936 0.4513
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0232 0.2955 0.3493
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.3936 0.4636
Brugia malayi Protein kinase domain containing protein 0.0161 0.1809 0.2138
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.0214 0.0224
Loa Loa (eye worm) hypothetical protein 0.0119 0.1142 0.135
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0161 0.1809 0.1655
Echinococcus multilocularis microtubule associated protein 2 0.0668 1 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0161 0.1809 0.2138
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.0523 0.0619
Echinococcus multilocularis tumor protein p63 0.0327 0.4497 0.4393
Mycobacterium ulcerans hypothetical protein 0.0154 0.1702 0.5
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.0214 0.0224
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.145 0.1499
Leishmania major mitochondrial DNA polymerase beta 0.0292 0.3936 0.4513
Brugia malayi N-myristoyltransferase 2 0.0573 0.8461 1
Brugia malayi Protein kinase domain containing protein 0.0062 0.0214 0.0253
Trichomonas vaginalis N-myristoyl transferase, putative 0.0376 0.529 0.6156
Trichomonas vaginalis N-myristoyl transferase, putative 0.0573 0.8461 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0232 0.2955 0.3493
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0138 0.145 0.1499
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0161 0.1809 1
Echinococcus granulosus tumor protein p63 0.0327 0.4497 0.4393
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.145 0.1689
Onchocerca volvulus Huntingtin homolog 0.0119 0.1142 0.4814
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0062 0.0214 0.0253
Brugia malayi hypothetical protein 0.0229 0.2912 0.3441
Brugia malayi MH2 domain containing protein 0.0123 0.1205 0.1424
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0573 0.8461 0.8432
Echinococcus granulosus c-Jun N-terminal kinases 0.0232 0.2955 0.2823
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.1205 0.1424
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0573 0.8461 0.8432
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0232 0.2955 0.2823
Trypanosoma brucei N-myristoyltransferase 0.0573 0.8461 1
Loa Loa (eye worm) N-myristoyltransferase 2 0.0573 0.8461 1
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0573 0.8461 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.1205 0.1424
Loa Loa (eye worm) hypothetical protein 0.006 0.0184 0.0217
Giardia lamblia CDC72 0.0573 0.8461 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0523 0.0619
Schistosoma mansoni microtubule-associated protein tau 0.0668 1 1
Schistosoma mansoni N-myristoyltransferase 0.0573 0.8461 0.8427
Onchocerca volvulus Huntingtin homolog 0.0119 0.1142 0.4814
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0161 0.1809 0.2138
Schistosoma mansoni serine/threonine protein kinase 0.0169 0.1937 0.1761
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.3936 0.4636
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0573 0.8461 1
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.2912 0.2779
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.0523 0.0316
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0062 0.0214 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0161 0.1809 0.2138
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.0214 0.0224
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.1702 0.5
Trypanosoma cruzi N-myristoyl transferase, putative 0.0573 0.8461 1
Brugia malayi Protein kinase domain containing protein 0.0169 0.1937 0.229

Activities

Activity type Activity value Assay description Source Reference
EC50 > 49.75 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify inhibitors of Wee1 degradation. (Class of assay: screening) [Related pubchem assays (depositor defined):AID1321, AID1410, AID1412, AID1413, AID1414, AID1807, AID434972] Panel member name: Wee1 Degradation ChEMBL. No reference
EC50 > 49.75 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify inhibitors of Wee1 degradation. (Class of assay: screening) [Related pubchem assays (depositor defined):AID1321, AID1410, AID1412, AID1413, AID1414, AID1807, AID434972] Panel member name: Cyclin B Degradation ChEMBL. No reference
Potency (functional) 22.3872 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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