Detailed information for compound 274927

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 217.307 | Formula: C14H19NO
  • H donors: 2 H acceptors: 1 LogP: 2.47 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC12CCCCC1Cc1c2cc(O)cc1
  • InChi: 1S/C14H19NO/c1-15-14-7-3-2-4-11(14)8-10-5-6-12(16)9-13(10)14/h5-6,9,11,15-16H,2-4,7-8H2,1H3
  • InChiKey: AGDGODUCVPEVEY-UHFFFAOYSA-N  

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
Brugia malayi Cache domain containing protein 0.1554 0.1862 1
Entamoeba histolytica hypothetical protein 0.0143 0 0.5
Plasmodium vivax dynein-related AAA-type ATPase, putative 0.0143 0 0.5
Plasmodium vivax circumsporozoite- and TRAP-related protein, putative 0.0143 0 0.5
Plasmodium vivax von Willebrand factor A domain-related protein, putative 0.0143 0 0.5
Onchocerca volvulus 0.0143 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1554 0.1862 1
Onchocerca volvulus 0.0143 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0143 0 0.5
Plasmodium falciparum thrombospondin-related anonymous protein 0.0143 0 0.5
Entamoeba histolytica elongation factor-2 kinase, putative 0.0143 0 0.5
Treponema pallidum hypothetical protein 0.0143 0 0.5
Toxoplasma gondii microneme protein MIC2 0.0143 0 0.5
Onchocerca volvulus 0.0143 0 0.5
Plasmodium vivax thrombospondin-related anonymous protein 0.0143 0 0.5
Toxoplasma gondii von Willebrand factor type A domain-containing protein 0.0143 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0143 0 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.1697 0.2052 0.4821
Onchocerca volvulus 0.0143 0 0.5
Onchocerca volvulus 0.0143 0 0.5
Echinococcus granulosus voltage dependent calcium channel subunit 0.3509 0.4445 0.4445
Onchocerca volvulus 0.0143 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0143 0 0.5
Echinococcus multilocularis voltage dependent calcium channel subunit 0.7716 1 1
Treponema pallidum 76K protein 0.0143 0 0.5
Plasmodium falciparum von Willebrand factor A domain-related protein 0.0143 0 0.5
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0143 0 0.5
Plasmodium falciparum circumsporozoite- and TRAP-related protein 0.0143 0 0.5
Schistosoma mansoni hypothetical protein 0.1813 0.2204 0.5179
Echinococcus multilocularis voltage dependent calcium channel subunit 0.3509 0.4445 0.4445
Schistosoma mansoni serine-rich repeat protein 0.1813 0.2204 0.5179
Onchocerca volvulus 0.0143 0 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.3366 0.4256 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.99 mg kg-1 Compound was evaluated for in vivo activity assessed by prevention of NMDA-induced lethality in mice (N= 10 animals) ChEMBL. 8459395
ED50 (functional) = 0.99 mg kg-1 Compound was evaluated for in vivo activity assessed by prevention of NMDA-induced lethality in mice (N= 10 animals) ChEMBL. 8459395
IC50 (binding) = 16.5 nM Evaluated for their affinity at the PCP site for displacement of [3H]-TCP in rat brain homogenates ChEMBL. 8459395
IC50 (binding) = 16.5 nM Evaluated for their affinity at the PCP site for displacement of [3H]-TCP in rat brain homogenates ChEMBL. 8459395
IC50 (functional) = 0.14 uM Compound was evaluated for the inhibition of glutamate-stimulated calcium influx (GSCI); (N=1) ChEMBL. 8459395

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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