Detailed information for compound 313474

Basic information

Technical information
  • TDR Targets ID: 313474
  • Name: (3-ethyl-2-fluoroquinolin-6-yl)-(4-methoxycyc lohexyl)methanone
  • MW: 315.382 | Formula: C19H22FNO2
  • H donors: 0 H acceptors: 2 LogP: 4.19 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1CCC(CC1)C(=O)c1ccc2c(c1)cc(c(n2)F)CC
  • InChi: 1S/C19H22FNO2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3
  • InChiKey: QKNHYBFJWAQDHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3-ethyl-2-fluoro-6-quinolyl)-(4-methoxycyclohexyl)methanone
  • (3-ethyl-2-fluoro-quinolin-6-yl)-(4-methoxycyclohexyl)methanone

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
Brugia malayi Zona pellucida-like domain containing protein 0.0043 0.0077 0.04
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.0258
Brugia malayi Metabotropic glutamate receptor precursor. 0.0098 0.0321 0.1669
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0043 0.0077 0.04
Loa Loa (eye worm) CUTiclin-Like family member 0.0043 0.0077 0.04
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0042 0.0074 0.0384
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0503 0.2113 0.4821
Loa Loa (eye worm) glutamate receptor 0.0038 0.0059 0.0308
Treponema pallidum 76K protein 0.0043 0.0077 0.5
Echinococcus multilocularis collagen alpha 1(VII) chain 0.0043 0.0077 0.0003
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0091 0.0033
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.0074 0.0384
Schistosoma mansoni serine-rich repeat protein 0.0538 0.2264 0.5179
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1041 0.4488 0.4447
Plasmodium falciparum von Willebrand factor A domain-related protein 0.0043 0.0077 0.5
Onchocerca volvulus 0.0043 0.0077 0.5
Treponema pallidum hypothetical protein 0.0043 0.0077 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0999 0.43 1
Loa Loa (eye worm) von Willebrand factor type A domain-containing protein 0.0043 0.0077 0.04
Plasmodium vivax von Willebrand factor A domain-related protein, putative 0.0043 0.0077 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0043 0.0077 0.5
Echinococcus multilocularis voltage dependent calcium channel subunit 0.2289 1 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0043 0.0077 0.04
Echinococcus granulosus collagen alpha 1VII chain 0.0043 0.0077 0.0003
Onchocerca volvulus 0.0043 0.0077 0.5
Loa Loa (eye worm) hypothetical protein 0.012 0.0421 0.2187
Brugia malayi von Willebrand factor type A domain containing protein 0.0043 0.0077 0.04
Echinococcus multilocularis metabotropic glutamate receptor 5 0.012 0.0421 0.035
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Onchocerca volvulus 0.0043 0.0077 0.5
Plasmodium vivax dynein-related AAA-type ATPase, putative 0.0043 0.0077 0.5
Brugia malayi von Willebrand factor type A domain containing protein 0.0043 0.0077 0.04
Brugia malayi Cache domain containing protein 0.0461 0.1925 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Toxoplasma gondii von Willebrand factor type A domain-containing protein 0.0043 0.0077 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0091 0.0033
Loa Loa (eye worm) glutamate receptor 0.0098 0.0321 0.1669
Onchocerca volvulus 0.0043 0.0077 0.5
Brugia malayi hypothetical protein 0.0043 0.0077 0.04
Brugia malayi von Willebrand factor type A domain containing protein 0.0043 0.0077 0.04
Brugia malayi von Willebrand factor type A domain containing protein 0.0043 0.0077 0.04
Echinococcus granulosus metabotropic glutamate receptor 2 0.0082 0.0251 0.0178
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0082 0.0251 0.0178
Brugia malayi von Willebrand Factor 0.0043 0.0077 0.04
Plasmodium falciparum thrombospondin-related anonymous protein 0.0043 0.0077 0.5
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0111 0.038 0.0718
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.0077 0.04
Brugia malayi metabotropic glutamate receptor type 2 0.0048 0.01 0.0519
Echinococcus granulosus voltage dependent calcium channel subunit 0.1041 0.4488 0.4447
Loa Loa (eye worm) von Willebrand factor domain-containing protein 0.0043 0.0077 0.04
Entamoeba histolytica hypothetical protein 0.0043 0.0077 0.5
Loa Loa (eye worm) CUTiclin family member 0.0043 0.0077 0.04
Entamoeba histolytica elongation factor-2 kinase, putative 0.0043 0.0077 0.5
Onchocerca volvulus 0.0043 0.0077 0.5
Onchocerca volvulus 0.0043 0.0077 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Entamoeba histolytica hypothetical protein, conserved 0.0043 0.0077 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0089 0.0281 0.1458
Schistosoma mansoni hypothetical protein 0.0538 0.2264 0.5179
Plasmodium vivax thrombospondin-related anonymous protein 0.0043 0.0077 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0077 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Schistosoma mansoni metabotropic glutamate receptor 0.0048 0.01 0.0054
Brugia malayi von Willebrand factor type A domain containing protein 0.0043 0.0077 0.04
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Toxoplasma gondii microneme protein MIC2 0.0043 0.0077 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Echinococcus granulosus metabotropic glutamate receptor 5 0.012 0.0421 0.035
Plasmodium vivax circumsporozoite- and TRAP-related protein, putative 0.0043 0.0077 0.5
Onchocerca volvulus 0.0043 0.0077 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Brugia malayi Zona pellucida-like domain containing protein 0.0043 0.0077 0.04
Plasmodium falciparum circumsporozoite- and TRAP-related protein 0.0043 0.0077 0.5
Brugia malayi von Willebrand factor type A domain containing protein 0.0043 0.0077 0.04
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.04
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0043 0.0077 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0043 0.0077 0.04
Loa Loa (eye worm) hypothetical protein 0.0461 0.1925 1
Schistosoma mansoni metabotropic glutamate receptor 0.0082 0.0251 0.0412

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4 nM Inhibitory concentration against rat metabotropic glutamate receptor 1 ChEMBL. 15771457
IC50 (binding) = 9 nM Inhibitory concentration against human metabotropic glutamate receptor ChEMBL. 15771457
IC50 (functional) = 75 nM In vitro metabolic stability of compound was tested in human liver microsomes ChEMBL. 15771457

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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