Detailed information for compound 759694

Basic information

Technical information
  • TDR Targets ID: 759694
  • Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(pr op-2-enylamino)purine-2,6-dione
  • MW: 359.81 | Formula: C17H18ClN5O2
  • H donors: 1 H acceptors: 3 LogP: 2.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
  • InChi: 1S/C17H18ClN5O2/c1-4-9-19-16-20-14-13(15(24)22(3)17(25)21(14)2)23(16)10-11-5-7-12(18)8-6-11/h4-8H,1,9-10H2,2-3H3,(H,19,20)
  • InChiKey: VMUPKDMJEPRTEL-UHFFFAOYSA-N  

Network

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Synonyms

  • 8-(allylamino)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
  • 8-(allylamino)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
  • 8-(allylamino)-7-(4-chlorobenzyl)-1,3-dimethyl-xanthine
  • ZINC02382329
  • BAS 04358727
  • ST5274729
  • Oprea1_051906
  • 8-Allylamino-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

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
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0861 0.0861
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0861 0.5
Leishmania major hypothetical protein, conserved 0.0035 0.0861 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0861 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0861 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0861 0.0861
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0861 0.0861
Onchocerca volvulus 0.0035 0.0861 0.5
Entamoeba histolytica hypothetical protein 0.0071 0.2614 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0861 0.1381
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0861 0.1381
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0146 0.6234 1
Brugia malayi hypothetical protein 0.0071 0.2614 0.4192
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0861 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.6234 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.6234 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0 0.5
Toxoplasma gondii ABC1 family protein 0.0035 0.0861 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0861 0.5
Mycobacterium ulcerans beta-lactamase 0.0035 0.0861 0.5
Mycobacterium tuberculosis Conserved protein 0.0035 0.0861 0.0861
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0861 0.0861
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.2614 0.4192
Schistosoma mansoni hypothetical protein 0.0071 0.2614 0.4192
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1513 0.2427
Mycobacterium ulcerans hypothetical protein 0.0035 0.0861 0.5
Brugia malayi beta-lactamase 0.0035 0.0861 0.1381
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.6234 1
Schistosoma mansoni hypothetical protein 0.0033 0.077 0.1235
Mycobacterium tuberculosis Conserved protein 0.0035 0.0861 0.0861
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0861 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0146 0.6234 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0861 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.2614 0.4192
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.6234 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1513 0.2427
Entamoeba histolytica hypothetical protein 0.0071 0.2614 0.5
Onchocerca volvulus 0.0035 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0861 0.1381
Mycobacterium tuberculosis Conserved protein 0.0035 0.0861 0.0861
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0861 0.0861
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0861 0.1381
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.2614 0.4192
Entamoeba histolytica hypothetical protein 0.0071 0.2614 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0861 0.1381
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0861 0.0861
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.1513 0.2427
Loa Loa (eye worm) hypothetical protein 0.0035 0.0861 0.1381
Loa Loa (eye worm) beta-lactamase 0.0035 0.0861 0.1381
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1513 0.2427
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0861 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0861 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0861 0.1381
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.6234 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0861 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0861 0.1381
Loa Loa (eye worm) hypothetical protein 0.0035 0.0861 0.1381
Trichomonas vaginalis esterase, putative 0.0035 0.0861 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.6234 1
Entamoeba histolytica hypothetical protein 0.0071 0.2614 0.5
Mycobacterium ulcerans lipase LipD 0.0035 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0861 0.1381
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0861 0.1381
Onchocerca volvulus 0.0035 0.0861 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0861 0.1381
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.077 0.1235
Loa Loa (eye worm) hypothetical protein 0.0035 0.0861 0.1381
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0861 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.077 0.1235
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0861 0.5
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0861 0.0861
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.6234 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0861 0.1381

Activities

No activities found for this compound.

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

No literature references available for this target.

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