Detailed information for compound 228531

Basic information

Technical information
  • TDR Targets ID: 228531
  • Name: 7-chloro-2-hydroxy-3-thiophen-3-yl-1H-quinoli n-4-one
  • MW: 277.726 | Formula: C13H8ClNO2S
  • H donors: 2 H acceptors: 3 LogP: 3.75 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)nc(c(c2O)c1ccsc1)O
  • InChi: 1S/C13H8ClNO2S/c14-8-1-2-9-10(5-8)15-13(17)11(12(9)16)7-3-4-18-6-7/h1-6H,(H2,15,16,17)
  • InChiKey: MCPJEXOJHGYLOW-UHFFFAOYSA-N  

Network

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Synonyms

  • 7-chloro-2-hydroxy-3-(3-thienyl)-1H-quinolin-4-one
  • 7-chloro-2-hydroxy-3-(3-thienyl)-4-quinolone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor Starlite/ChEMBL References

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 0.114 1 1
Schistosoma mansoni hypothetical protein 0.0297 0.2397 0.023
Schistosoma mansoni hypothetical protein 0.0297 0.2397 0.023
Loa Loa (eye worm) hypothetical protein 0.0842 0.7315 0.655
Toxoplasma gondii peptidase family M13 protein 0.114 1 0.5
Loa Loa (eye worm) peptidase family M13 containing protein 0.0842 0.7315 0.655
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.114 1 1
Schistosoma mansoni hypothetical protein 0.0297 0.2397 0.023
Schistosoma mansoni hypothetical protein 0.0297 0.2397 0.023
Loa Loa (eye worm) hypothetical protein 0.0842 0.7315 0.655
Loa Loa (eye worm) hypothetical protein 0.0842 0.7315 0.655
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0575 0.4903 0.345
Schistosoma mansoni neprilysin-2 (M13 family) 0.0575 0.4903 0.345
Schistosoma mansoni hypothetical protein 0.0297 0.2397 0.023
Echinococcus multilocularis endothelin converting enzyme 1 0.114 1 1
Loa Loa (eye worm) hypothetical protein 0.114 1 1
Mycobacterium ulcerans zinc metalloprotease 0.114 1 0.5
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.114 1 0.5
Echinococcus granulosus endothelin converting enzyme 1 0.114 1 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.114 1 1
Loa Loa (eye worm) hypothetical protein 0.0862 0.7494 0.678
Loa Loa (eye worm) hypothetical protein 0.0862 0.7494 0.678
Loa Loa (eye worm) hypothetical protein 0.0565 0.4809 0.3329
Loa Loa (eye worm) hypothetical protein 0.0862 0.7494 0.678
Loa Loa (eye worm) hypothetical protein 0.114 1 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0575 0.4903 0.345
Schistosoma mansoni neprilysin 0.0297 0.2397 0.023
Loa Loa (eye worm) hypothetical protein 0.0862 0.7494 0.678
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0575 0.4903 0.345
Loa Loa (eye worm) hypothetical protein 0.0862 0.7494 0.678
Loa Loa (eye worm) hypothetical protein 0.0862 0.7494 0.678
Schistosoma mansoni hypothetical protein 0.0297 0.2397 0.023
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0297 0.2397 0.023
Loa Loa (eye worm) hypothetical protein 0.0842 0.7315 0.655
Onchocerca volvulus 0.0565 0.4809 0.5
Mycobacterium leprae probable zinc metalloprotease 0.114 1 0.5
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0575 0.4903 0.345
Loa Loa (eye worm) peptidase family M13 containing protein 0.0842 0.7315 0.655

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 6.9 mg kg-1 Anticonvulsant activity measured by its ability to protect against audiogenic seizure in DBA/2 mice when dosed intraperitoneally 30 min prior to seizure induction. ChEMBL. 9406596
ED50 (functional) = 6.9 mg kg-1 Anticonvulsant activity measured by its ability to protect against audiogenic seizure in DBA/2 mice when dosed intraperitoneally 30 min prior to seizure induction. ChEMBL. 9406596
HSAI (binding) = 11 Human serum albumin index was measured by retention time of the compound on an HPLC column containing human albumin ChEMBL. 9406596
HSAI (binding) = 11 Human serum albumin index was measured by retention time of the compound on an HPLC column containing human albumin ChEMBL. 9406596
IC50 (binding) = 352 nM Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate receptor 1, determined by displacement of the glycine site antagonist [3H]L-689,560 from rat cortical membranes ChEMBL. 9406596
IC50 (binding) = 352 nM Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate receptor 1, determined by displacement of the glycine site antagonist [3H]L-689,560 from rat cortical membranes ChEMBL. 9406596
logP (ADMET) = 1.45 Partition coefficient (logP) ChEMBL. 9406596

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.

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