Detailed information for compound 226964

Basic information

Technical information
  • TDR Targets ID: 226964
  • Name: 7-chloro-3-(furan-2-yl)-2-hydroxy-1H-quinolin -4-one
  • MW: 261.661 | Formula: C13H8ClNO3
  • H donors: 2 H acceptors: 3 LogP: 3.17 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)nc(c(c2O)c1ccco1)O
  • InChi: 1S/C13H8ClNO3/c14-7-3-4-8-9(6-7)15-13(17)11(12(8)16)10-2-1-5-18-10/h1-6H,(H2,15,16,17)
  • InChiKey: UFBBTIXVJYGCOQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-chloro-3-(2-furyl)-2-hydroxy-1H-quinolin-4-one
  • 7-chloro-3-(2-furyl)-2-hydroxy-4-quinolone
  • 7-chloro-3-furan-2-yl-2-hydroxy-1H-quinolin-4-one

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
Chlamydia trachomatis glutamine binding protein 0.0023 0 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0032 1 0.5
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0023 0 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0032 1 0.5
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0023 0 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0023 0 0.5
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0023 0 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0023 0 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 3.2 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) = 3.2 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) = 6 Human serum albumin index was measured by retention time of the compound on an HPLC column containing human albumin ChEMBL. 9406596
HSAI (binding) = 6 Human serum albumin index was measured by retention time of the compound on an HPLC column containing human albumin ChEMBL. 9406596
IC50 (binding) = 747 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) = 747 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) = 0.49 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.

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