Detailed information for compound 276122

Basic information

Technical information
  • TDR Targets ID: 276122
  • Name: (2E)-2-[cyclohexyl-[3-methyl-4-(quinolin-2-yl methoxy)phenyl]methoxy]iminoacetic acid
  • MW: 432.512 | Formula: C26H28N2O4
  • H donors: 1 H acceptors: 3 LogP: 6.3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)/C=N/OC(c1ccc(c(c1)C)OCc1ccc2c(n1)cccc2)C1CCCCC1
  • InChi: 1S/C26H28N2O4/c1-18-15-21(26(32-27-16-25(29)30)20-8-3-2-4-9-20)12-14-24(18)31-17-22-13-11-19-7-5-6-10-23(19)28-22/h5-7,10-16,20,26H,2-4,8-9,17H2,1H3,(H,29,30)/b27-16+
  • InChiKey: YHFSQWGFSICIDD-JVWAILMASA-N  

Network

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Synonyms

  • (2E)-2-[cyclohexyl-[3-methyl-4-(2-quinolylmethoxy)phenyl]methoxy]iminoacetic acid
  • (2E)-2-[cyclohexyl-[3-methyl-4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoethanoic acid
  • (2E)-2-[cyclohexyl-[3-methyl-4-(2-quinolylmethoxy)phenyl]methyl]oximinoacetic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 5-lipoxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482

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
Schistosoma mansoni neprilysin-2 (M13 family) 0.0424 0.4036 0.4036
Schistosoma mansoni hypothetical protein 0.0219 0.1103 0.1103
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0841 1 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0492 0.4999 0.4999
Brugia malayi hypothetical protein 0.0209 0.0956 0.0069
Onchocerca volvulus 0.0417 0.3925 1
Loa Loa (eye worm) hypothetical protein 0.0621 0.6858 0.655
Loa Loa (eye worm) hypothetical protein 0.0316 0.249 0.1753
Mycobacterium leprae probable zinc metalloprotease 0.0841 1 0.5
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0424 0.4036 0.4036
Loa Loa (eye worm) hypothetical protein 0.0636 0.7067 0.678
Echinococcus granulosus leukotriene A 4 hydrolase 0.0492 0.4999 0.4999
Loa Loa (eye worm) hypothetical protein 0.0621 0.6858 0.655
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0205 0.0894 0.0894
Loa Loa (eye worm) peptidase family M1 containing protein 0.031 0.2395 0.1649
Loa Loa (eye worm) peptidase family M13 containing protein 0.0621 0.6858 0.655
Schistosoma mansoni hypothetical protein 0.0219 0.1103 0.1103
Echinococcus multilocularis endothelin converting enzyme 1 0.0841 1 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0492 0.4999 0.4509
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0205 0.0894 0.0894
Loa Loa (eye worm) hypothetical protein 0.0636 0.7067 0.678
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0618 0.681 0.6497
Loa Loa (eye worm) hypothetical protein 0.0249 0.1526 0.0694
Loa Loa (eye worm) hypothetical protein 0.0636 0.7067 0.678
Schistosoma mansoni endothelin-converting enzyme-related 0.0205 0.0894 0.0894
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0205 0.0894 0.0894
Schistosoma mansoni hypothetical protein 0.0219 0.1103 0.1103
Loa Loa (eye worm) hypothetical protein 0.0636 0.7067 0.678
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0424 0.4036 0.4036
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0492 0.4999 0.4999
Brugia malayi Angiotensin-converting enzyme family protein 0.0618 0.681 0.6497
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0424 0.4036 0.4036
Loa Loa (eye worm) hypothetical protein 0.0636 0.7067 0.678
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0841 1 1
Loa Loa (eye worm) hypothetical protein 0.0417 0.3925 0.3329
Brugia malayi Peptidase family M1 containing protein 0.0377 0.3359 0.2707
Schistosoma mansoni neprilysin 0.0219 0.1103 0.1103
Loa Loa (eye worm) hypothetical protein 0.0841 1 1
Schistosoma mansoni hypothetical protein 0.0219 0.1103 0.1103
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0205 0.0894 0.0894
Loa Loa (eye worm) hypothetical protein 0.0841 1 1
Echinococcus multilocularis aminopeptidase N 0.0377 0.3359 0.3359
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0219 0.1103 0.1103
Schistosoma mansoni hypothetical protein 0.0219 0.1103 0.1103
Loa Loa (eye worm) peptidase family M13 containing protein 0.0621 0.6858 0.655
Schistosoma mansoni hypothetical protein 0.0219 0.1103 0.1103
Loa Loa (eye worm) hypothetical protein 0.0636 0.7067 0.678
Echinococcus granulosus endothelin converting enzyme 1 0.0841 1 1
Loa Loa (eye worm) hypothetical protein 0.0621 0.6858 0.655
Toxoplasma gondii peptidase family M13 protein 0.0841 1 0.5
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0841 1 1
Mycobacterium ulcerans zinc metalloprotease 0.0841 1 0.5
Echinococcus granulosus aminopeptidase N 0.0377 0.3359 0.3359
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0424 0.4036 0.4036
Loa Loa (eye worm) hypothetical protein 0.0841 1 1
Loa Loa (eye worm) hypothetical protein 0.0621 0.6858 0.655
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0205 0.0894 0.0894

Activities

Activity type Activity value Assay description Source Reference
I (functional) = 15 % Percent inhibition was determined for in vivo ionophore induced rat pleurisy at a dose of 3 mg/kg ChEMBL. 10691695
IC50 (functional) = 20 nM Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neutrophil assay ChEMBL. 10691695
IC50 (functional) = 20 nM Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neutrophil assay ChEMBL. 10691695

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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