Detailed information for compound 654282

Basic information

Technical information
  • TDR Targets ID: 654282
  • Name: 8-butylamino-7-[(2,4-dichlorophenyl)methyl]-1 ,3-dimethylpurine-2,6-dione
  • MW: 410.298 | Formula: C18H21Cl2N5O2
  • H donors: 1 H acceptors: 3 LogP: 3.99 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C
  • InChi: 1S/C18H21Cl2N5O2/c1-4-5-8-21-17-22-15-14(16(26)24(3)18(27)23(15)2)25(17)10-11-6-7-12(19)9-13(11)20/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,22)
  • InChiKey: NYLQHHIAASQUIQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 8-butylamino-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
  • 8-butylamino-7-(2,4-dichlorobenzyl)-1,3-dimethyl-xanthine

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
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0272 0.8987 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0611 0.068
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0611 0.068
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 0.5
Brugia malayi jmjC domain containing protein 0.0036 0.0047 0.0052
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0146 0.421 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0047 0.029
Loa Loa (eye worm) hypothetical protein 0.0272 0.8987 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0047 0.029
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0252 0.0878
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.2378 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0146 0.421 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0611 0.068
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.2378 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.1012 0.1126
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 0.5
Treponema pallidum fructose-bisphosphate aldolase 0.0299 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0611 0.068
Schistosoma mansoni jumonji domain containing protein 0.0078 0.1618 1
Brugia malayi jmjC domain containing protein 0.0098 0.2378 0.2646
Giardia lamblia Fructose-bisphosphate aldolase 0.0299 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0616 0.0685
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0047 0.0052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 1 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 0.5
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0252 0.0878
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0146 0.421 0.5
Loa Loa (eye worm) hypothetical protein 0.0272 0.8987 1
Brugia malayi NNMT/PNMT/TEMT family protein 0.0272 0.8987 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 1 0.5

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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