Detailed information for compound 1852993

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 288.343 | Formula: C19H16N2O
  • H donors: 1 H acceptors: 1 LogP: 4.48 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H](n1[nH]c2c(c1=O)cccc2)c1cccc2c1cccc2
  • InChi: 1S/C19H16N2O/c1-13(15-11-6-8-14-7-2-3-9-16(14)15)21-19(22)17-10-4-5-12-18(17)20-21/h2-13,20H,1H3/t13-/m1/s1
  • InChiKey: AOOSKFQNKDXJCS-CYBMUJFWSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Arachidonate 5-lipoxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus arachidonate 5 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 IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing 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 mansoni 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
Echinococcus multilocularis mitogen activated protein kinase 0.0909 0.9291 0.9267
Brugia malayi Metabotropic glutamate receptor precursor. 0.0788 0.7908 0.8458
Echinococcus granulosus mitogen activated protein kinase 3 0.0909 0.9291 0.9267
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0909 0.9291 0.5
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0714 0.7057 0.7508
Trichomonas vaginalis CMGC family protein kinase 0.0909 0.9291 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.066 0.6439 0.693
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0128 0.0326 0.5
Loa Loa (eye worm) hypothetical protein 0.097 1 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0909 0.9291 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0909 0.9291 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0909 0.9291 0.9267
Trichomonas vaginalis CMGC family protein kinase 0.0909 0.9291 0.5
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0202 0.1177 0.088
Giardia lamblia Kinase, CMGC MAPK 0.0909 0.9291 0.5
Echinococcus multilocularis metabotropic glutamate receptor 2 0.066 0.6439 0.6319
Trypanosoma brucei protein kinase, putative 0.0909 0.9291 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0909 0.9291 0.5
Brugia malayi metabotropic glutamate receptor type 2 0.0384 0.3268 0.3282
Loa Loa (eye worm) glutamate receptor 0.031 0.2417 0.2162
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0909 0.9291 0.9267
Onchocerca volvulus Poor gastrulation protein homolog 0.0128 0.0326 0.5
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0202 0.1177 0.088
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0909 0.9291 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0909 0.9291 0.9267
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.0492 0.0172
Schistosoma mansoni metabotropic glutamate receptor 0.0384 0.3268 0.3518
Loa Loa (eye worm) glutamate receptor 0.0788 0.7908 0.7838
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0909 0.9291 0.5
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0896 0.9149 0.9847
Echinococcus granulosus metabotropic glutamate receptor 2 0.066 0.6439 0.6319
Brugia malayi MAP kinase sur-1 0.0909 0.9291 1
Schistosoma mansoni lipoxygenase 0.0142 0.0492 0.053
Schistosoma mansoni hypothetical protein 0.0128 0.0326 0.035
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0909 0.9291 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0202 0.1177 0.0949
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0909 0.9291 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.097 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.0492 0.0172
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0909 0.9291 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0909 0.9291 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0909 0.9291 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.1177 0.088

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 100 mg kg-1 Ex vivo inhibition of LTB4 production was measured in dog blood ChEMBL. 1848292
IC50 (functional) = 1.4 uM In vitro inhibition of LTB4 production was measured in rat blood ChEMBL. 1848292
IC50 (functional) = 400 uM In vitro inhibition of PGE-2 production was measured in rat blood ChEMBL. 1848292

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.