Detailed information for compound 200487

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 299.709 | Formula: C16H10ClNO3
  • H donors: 1 H acceptors: 3 LogP: 3.02 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)NC(=O)C(C2=O)C(=O)c1ccccc1
  • InChi: 1S/C16H10ClNO3/c17-10-6-7-11-12(8-10)18-16(21)13(15(11)20)14(19)9-4-2-1-3-5-9/h1-8,13H,(H,18,21)
  • InChiKey: PJYFZSCHAYROEU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.2951 0.4076
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0535 0.0739
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0023 0.0332 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.2951 0.4076
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0535 0.0679
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0023 0.0332 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.4163 0.4395
Loa Loa (eye worm) hypothetical protein 0.0044 0.3818 0.4014
Schistosoma mansoni bromodomain containing protein 0.0068 0.7886 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0032 0.184 0.2541
Chlamydia trachomatis glutamine binding protein 0.0023 0.0332 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0032 0.184 0.2541
Loa Loa (eye worm) hypothetical protein 0.0076 0.9228 1
Schistosoma mansoni hypothetical protein 0.0022 0.0191 0.0242
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.724 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.724 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0535 0.0739
Brugia malayi Bromodomain containing protein 0.0041 0.3378 0.2673
Loa Loa (eye worm) hypothetical protein 0.0041 0.3391 0.3541
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0023 0.0332 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0023 0.0332 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0032 0.184 0.2541
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0023 0.0332 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 15.1 mg kg-1 Effective dose of compound required to protect audiogenic seizure in DBA/2 mice administered ip ChEMBL. 8230129
ED50 (functional) = 15.1 mg kg-1 Effective dose of compound required to protect audiogenic seizure in DBA/2 mice administered ip ChEMBL. 8230129
IC50 (binding) = 3.16 uM Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes ChEMBL. 8230129
IC50 (binding) = 3.16 uM Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes ChEMBL. 8230129
Kb (functional) = 19.3 uM Antagonistic activity against NMDA-induced response in rat cortical slice ChEMBL. 8230129

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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