Detailed information for compound 1286139

Basic information

Technical information
  • TDR Targets ID: 1286139
  • Name: (8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiop hene-2-carboxylate
  • MW: 299.344 | Formula: C16H13NO3S
  • H donors: 1 H acceptors: 3 LogP: 3.89 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc2c(C)cccc2cc1COC(=O)c1cccs1
  • InChi: 1S/C16H13NO3S/c1-10-4-2-5-11-8-12(15(18)17-14(10)11)9-20-16(19)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,17,18)
  • InChiKey: BOODXGBQVFUTGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-thiophenecarboxylic acid (8-methyl-2-oxo-1H-quinolin-3-yl)methyl ester
  • thiophene-2-carboxylic acid (2-keto-8-methyl-1H-quinolin-3-yl)methyl ester
  • STOCK4S-60175
  • MLS000588209
  • SMR000220199
  • Thiophene-2-carboxylic acid 2-hydroxy-8-methyl-quinolin-3-ylmethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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 0.0085 0.2167 0.2159
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1064 0.2181
Loa Loa (eye worm) hypothetical protein 0.004 0.0437 0.0428
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.1028 0.4744
Onchocerca volvulus 0.004 0.0437 0.073
Loa Loa (eye worm) hypothetical protein 0.004 0.0437 0.0428
Onchocerca volvulus 0.004 0.0437 0.073
Schistosoma mansoni thyroid hormone receptor 0.0162 0.5189 0.8343
Schistosoma mansoni hypothetical protein 0.0188 0.6213 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3311 0.5305
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0437 0.0407
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0085 0.2167 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.014 0.4323 0.4305
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3311 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.1028 0.0696
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1133 0.1105
Mycobacterium leprae conserved hypothetical protein 0.004 0.0437 0.2016
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0437 0.0428
Onchocerca volvulus 0.004 0.0437 0.073
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3311 0.329
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0085 0.2167 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3311 1
Echinococcus granulosus geminin 0.0188 0.6213 0.6201
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.2167 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0085 0.2167 0.3455
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.3311 0.5895
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.014 0.4323 0.4305
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3311 1
Mycobacterium leprae Probable lipase LipE 0.004 0.0437 0.2016
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3311 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3311 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0437 0.0428
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3311 0.3304
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0085 0.2167 0.5
Brugia malayi beta-lactamase 0.004 0.0437 0.0407
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3311 0.329
Schistosoma mansoni hypothetical protein 0.014 0.4323 0.6943
Schistosoma mansoni hypothetical protein 0.0188 0.6213 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.1028 0.0696
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0085 0.2167 0.2143
Loa Loa (eye worm) hypothetical protein 0.003 0.0031 0.0021
Onchocerca volvulus 0.0173 0.5594 1
Loa Loa (eye worm) beta-lactamase 0.004 0.0437 0.0428
Onchocerca volvulus 0.0058 0.1133 0.1981
Schistosoma mansoni kinase 0.0058 0.1122 0.1765
Giardia lamblia Kinase, PLK 0.0114 0.3311 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.1028 0.1
Trypanosoma brucei polo-like protein kinase 0.0114 0.3311 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3311 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0437 0.0657
Loa Loa (eye worm) hypothetical protein 0.0173 0.5594 0.559
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3311 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0162 0.5189 0.5174
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0258 0.8929 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0031 0.0021
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3311 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.1133 0.1783
Brugia malayi Probable ClpP-like protease 0.0085 0.2167 0.2143
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.1028 0.1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0085 0.2167 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.2167 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0437 0.0428
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0085 0.2167 0.2143
Brugia malayi beta-lactamase family protein 0.004 0.0437 0.0407
Loa Loa (eye worm) intermediate filament protein 0.003 0.0031 0.0021
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3311 0.329
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.2167 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0437 0.0428
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3311 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0437 0.0407
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1064 0.2181
Toxoplasma gondii ABC1 family protein 0.004 0.0437 0.2016
Brugia malayi hypothetical protein 0.0173 0.5594 0.5581
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3311 1
Schistosoma mansoni hypothetical protein 0.0058 0.1133 0.1783
Schistosoma mansoni thyroid hormone receptor 0.0162 0.5189 0.8343
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0085 0.2167 1
Echinococcus multilocularis geminin 0.0188 0.6213 0.6201
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.2167 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0437 0.0428
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0437 0.0657
Plasmodium vivax hypothetical protein, conserved 0.004 0.0437 0.2016
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.2167 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0437 0.0407
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.2167 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3311 1
Brugia malayi beta-lactamase family protein 0.004 0.0437 0.0407

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.6213 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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