Detailed information for compound 20134

Basic information

Technical information
  • TDR Targets ID: 20134
  • Name: 4-[(4-chlorophenyl)methyl]-6-methyl-6,7-dihyd ro-1H-imidazo[1,2-a]purin-9-one
  • MW: 315.758 | Formula: C15H14ClN5O
  • H donors: 1 H acceptors: 2 LogP: 1.82 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Cn1c2=NC(Cn2c(=O)c2c1nc[nH]2)C
  • InChi: 1S/C15H14ClN5O/c1-9-6-21-14(22)12-13(18-8-17-12)20(15(21)19-9)7-10-2-4-11(16)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,17,18)
  • InChiKey: PGBTWWOQUDVMOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-chlorobenzyl)-6-methyl-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one

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
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.1296 1 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.1296 1 0.5
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.1296 1 0.5
Loa Loa (eye worm) hypothetical protein 0.1296 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.1296 1 0.5
Schistosoma mansoni cytochrome P450 reductase 0.1296 1 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.1296 1 0.5
Leishmania major p450 reductase, putative 0.1296 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.1296 1 1
Plasmodium falciparum nitric oxide synthase, putative 0.1296 1 0.5
Trypanosoma cruzi cytochrome P450 reductase, putative 0.1296 1 0.5
Brugia malayi FAD binding domain containing protein 0.1296 1 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0653 0.0151 0.0151
Giardia lamblia Nitric oxide synthase, inducible 0.1149 0.7743 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0643 0 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.1296 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0801 0.2407 0.2407
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.1296 1 0.5
Chlamydia trachomatis sulfite reductase 0.0801 0.2407 0.5
Trypanosoma cruzi p450 reductase, putative 0.1296 1 0.5
Giardia lamblia Hypothetical protein 0.1149 0.7743 0.5
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.1296 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.1296 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0643 0 0.5
Echinococcus granulosus NADPH cytochrome P450 reductase 0.1296 1 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.1296 1 1
Trichomonas vaginalis sulfite reductase, putative 0.1296 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.1296 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.1296 1 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 1.5 mg kg-1 Antiallergic activity was evaluated by inhibition of allergen-induced bronchospasm in male Harlan-Wistar rats when administered intraduodenally 15 min prior to antigen challenge ChEMBL. 6161252
ED50 (functional) = 2.1 mg kg-1 In vivo bronchodilator activity in methacholine (intravenous) induced bronchospasm in male Harlan-Sprague-Dawley rats when administered intraduodenally ChEMBL. 6161252
ED50 (functional) = 10.6 mg kg-1 Antiallergic activity was evaluated by passive cutaneous anaphylaxis test in egg albumin sensitized male Harlan-Sprague-Dawley rats when administered perorally ChEMBL. 6161252
IC50 (functional) = 3.7 ug ml-1 In vitro bronchodilator activity in isolated guinea pig tracheal spiral preparation ChEMBL. 6161252

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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