Detailed information for compound 1670489

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.874 | Formula: C24H20ClNO3
  • H donors: 1 H acceptors: 2 LogP: 6.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1ccccc1C
  • InChi: 1S/C24H20ClNO3/c1-15-5-3-4-6-18(15)14-28-20-11-12-21(22(27)13-20)24-23(16(2)26-29-24)17-7-9-19(25)10-8-17/h3-13,27H,14H2,1-2H3
  • InChiKey: OEYVIZBEEHPIEK-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
Homo sapiens arachidonate 5-lipoxygenase Starlite/ChEMBL References
Homo sapiens arachidonate 5-lipoxygenase-activating protein Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
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
Echinococcus granulosus arachidonate 5 lipoxygenase 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
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 arachidonate 5 lipoxygenase 0.0142 1 1
Toxoplasma gondii MAPEG family protein 0.0135 0.8299 0.5
Schistosoma mansoni lipoxygenase 0.0142 1 1
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0135 0.8299 0.8299
Schistosoma mansoni microsomal glutathione s-transferase 0.0135 0.8299 0.8299

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 3 % Inhibition of FLAP in Ca+2 ionophore A23187 stimulated human neutrophils assessed as remaining 5-LO activity preincubated for 15 mins at 10 uM measured after 10 mins by RP-HPLC analysis ChEMBL. 26922224
IC50 (binding) = 1.9 uM Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 assessed as 5-LO product formation preincubated for 15 mins followed by addition of arachidonic acid as substrate measured after 10 mins by RP-HPLC analysis ChEMBL. 26922224
IC50 (binding) = 4.4 uM Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins ChEMBL. 22607880
IC50 (binding) = 4.4 uM Inhibition of FLAP in Ca+2 ionophore A23187 stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins by RP-HPLC analysis ChEMBL. 26922224
Inhibition (binding) = 10 % Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation at 10 uM preincubated for 15 mins measured after 10 mins relative to control ChEMBL. 22607880
Inhibition (binding) = 16 % Inhibition of human FLAP in cell-free system assessed as inhibition of 5-LO product formation at 10 uM preincubated for 15 mins measured after 10 mins relative to control ChEMBL. 22607880

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

2 literature references were collected for this gene.

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