Detailed information for compound 188797

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.762 | Formula: C18H14ClNO3
  • H donors: 2 H acceptors: 4 LogP: 4.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)nc(c(c2O)C(=O)CCc1ccccc1)O
  • InChi: 1S/C18H14ClNO3/c19-12-7-8-13-14(10-12)20-18(23)16(17(13)22)15(21)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H2,20,22,23)
  • InChiKey: NGKRXWFHUFEHOL-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Trypanosoma brucei glucose transporter, putative 0.0068 0.0961 0.5
Onchocerca volvulus 0.0171 0.4185 0.5
Trypanosoma brucei glucose transporter, putative 0.0068 0.0961 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0171 0.4185 0.6593
Trypanosoma cruzi hexose transporter, putative 0.0068 0.0961 1
Schistosoma mansoni glucose transport protein 0.0219 0.5679 1
Leishmania major glucose transporter, lmgt3 0.0068 0.0961 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0171 0.4185 0.6593
Leishmania major glucose transporter, lmgt2 0.0068 0.0961 0.5
Toxoplasma gondii facilitative glucose transporter GT1 0.0219 0.5679 0.5
Trypanosoma brucei glucose transporter, putative 0.0068 0.0961 0.5
Schistosoma mansoni serine-rich repeat protein 0.0084 0.1462 0.0381
Echinococcus multilocularis General substrate transporter 0.0188 0.4717 0.1317
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0219 0.5679 0.2897
Brugia malayi Sugar transporter family protein 0.0219 0.5679 1
Trypanosoma brucei glucose transporter, putative 0.0068 0.0961 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0219 0.5679 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0219 0.5679 0.2897
Trypanosoma brucei glucose transporter 2A 0.0068 0.0961 0.5
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0357 1 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0156 0.3709 0.5507
Trypanosoma brucei glucose transporter 1E 0.0068 0.0961 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0219 0.5679 0.2897
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0219 0.5679 0.2897
Trypanosoma brucei glucose transporter, putative 0.0068 0.0961 0.5
Plasmodium vivax hexose transporter 0.0219 0.5679 0.5
Onchocerca volvulus 0.0171 0.4185 0.5
Plasmodium falciparum hexose transporter 0.0219 0.5679 0.5
Schistosoma mansoni glucose transport protein 0.0219 0.5679 1
Trypanosoma brucei glucose transporter, putative 0.0068 0.0961 0.5
Trypanosoma brucei THT1 - hexose transporter, putative 0.0068 0.0961 0.5
Leishmania major glucose transporter/membrane transporter D2, putative 0.0068 0.0961 0.5
Leishmania major glucose transporter, lmgt1 0.0068 0.0961 0.5
Schistosoma mansoni glucose transport protein 0.0219 0.5679 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.4185 0.6747
Trypanosoma brucei glucose transporter, putative 0.0068 0.0961 0.5
Loa Loa (eye worm) hypothetical protein 0.0171 0.4185 0.6747
Echinococcus granulosus General substrate transporter 0.0188 0.4717 0.1317
Trypanosoma brucei THT1 - hexose transporter, putative 0.0068 0.0961 0.5
Loa Loa (eye worm) sugar transporter 0.0219 0.5679 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0219 0.5679 0.2897
Schistosoma mansoni hypothetical protein 0.0219 0.5679 1
Trypanosoma brucei glucose transporter, putative 0.0068 0.0961 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0219 0.5679 0.2897
Loa Loa (eye worm) hypothetical protein 0.0159 0.3816 0.5943
Trypanosoma brucei THT1 - hexose transporter, putative 0.0068 0.0961 0.5
Trypanosoma cruzi hexose transporter, putative 0.0068 0.0961 1
Brugia malayi Cation transporter family protein 0.0171 0.4185 0.6747
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0219 0.5679 0.2897
Trypanosoma cruzi hexose transporter 0.0068 0.0961 1
Trypanosoma cruzi hexose transporter, putative 0.0068 0.0961 1
Onchocerca volvulus 0.0171 0.4185 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0219 0.5679 0.2897
Schistosoma mansoni hypothetical protein 0.0084 0.1462 0.0381

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes ChEMBL. 8230129
IC50 (binding) > 100 uM Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes 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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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