Detailed information for compound 158350

Basic information

Technical information
  • TDR Targets ID: 158350
  • Name: 3-(cyclohexylmethyl)-5-phenylimidazo[4,5-c][1 ,8]naphthyridin-4-one
  • MW: 358.436 | Formula: C22H22N4O
  • H donors: 0 H acceptors: 3 LogP: 4.23 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1c2n(cnc2c2c(n1c1ccccc1)nccc2)CC1CCCCC1
  • InChi: 1S/C22H22N4O/c27-22-20-19(24-15-25(20)14-16-8-3-1-4-9-16)18-12-7-13-23-21(18)26(22)17-10-5-2-6-11-17/h2,5-7,10-13,15-16H,1,3-4,8-9,14H2
  • InChiKey: YCDOREPSVLDWPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(cyclohexylmethyl)-5-phenyl-imidazo[4,5-c][1,8]naphthyridin-4-one
  • 3-(cyclohexylmethyl)-5-phenyl-4-imidazo[4,5-c][1,8]naphthyridinone
  • 139482-38-5
  • 3,5-Dihydro-3-(cyclohexylmethyl)-5-phenyl-4H-imidazo(4,5-c)(1,8)naphthyridin-4-one
  • 4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(cyclohexylmethyl)-5-phenyl-

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 TAR-binding protein 0.0146 1 1
Loa Loa (eye worm) RNA binding protein 0.0146 1 1
Echinococcus multilocularis tar DNA binding protein 0.0146 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0146 1 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0146 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0146 1 1
Schistosoma mansoni tar DNA-binding protein 0.0146 1 0.5
Echinococcus granulosus tar DNA binding protein 0.0146 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0146 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0146 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0146 1 0.5
Loa Loa (eye worm) TAR-binding protein 0.0146 1 1

Activities

Activity type Activity value Assay description Source Reference
ED40 (functional) = 11.8 mg kg-1 Oral dose required for antiinflammatory effect on zymosan induced rat paw edema. ChEMBL. 1495017
ED50 (functional) = 5.7 mg kg-1 Dose of the compound(oral administration) showing antiinflammatory effect on rat paw edema model(reversed passive Arthus reaction-induced paw edema,RPAR) ChEMBL. 1495017
Inhibition (functional) = 34.7 % Antiinflammatory effect in rat paw edema model following 50 mg/kg p.o. administration. ChEMBL. 1495017
Inhibition (functional) = 49.8 % Antiinflammatory effect (oral administration), on zymosan-induced rat paw edema at 25 mg/kg ChEMBL. 1495017
Inhibition (functional) = 62.9 % Antiinflammatory effect of the compound (oral administration) on rat paw edema model (reversed passive Arthus reaction-induced paw edema) at 10 mg/kg ChEMBL. 1495017
MLD (ADMET) > 300 mg kg-1 Acute lethal toxicity (peroral administration), determined by observing the mortality for 7 days after the administration in mouse ChEMBL. 1495017
MLD (ADMET) > 300 mg kg-1 Acute lethal toxicity (peroral administration), determined by observing the mortality for 7 days after the administration in mouse ChEMBL. 1495017

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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