Detailed information for compound 866424

Basic information

Technical information
  • TDR Targets ID: 866424
  • Name: 8-bromo-7-(3-chloro-2-hydroxypropyl)-3-methyl purine-2,6-dione
  • MW: 337.558 | Formula: C9H10BrClN4O3
  • H donors: 2 H acceptors: 4 LogP: 0.32 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC(Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C)O
  • InChi: 1S/C9H10BrClN4O3/c1-14-6-5(7(17)13-9(14)18)15(8(10)12-6)3-4(16)2-11/h4,16H,2-3H2,1H3,(H,13,17,18)
  • InChiKey: LRAGDSCIFYPBAV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8-bromo-7-(3-chloro-2-hydroxy-propyl)-3-methyl-purine-2,6-dione
  • 8-bromo-7-(3-chloro-2-hydroxy-propyl)-3-methyl-xanthine
  • 8-Bromo-7-(3-chloro-2-hydroxy-propyl)-3-methyl-3,7-dihydro-purine-2,6-dione
  • BAS 00162588

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
Echinococcus multilocularis snurportin 1 0.0268 0.9671 0.9671
Loa Loa (eye worm) hypothetical protein 0.0023 0.0503 0.0503
Schistosoma mansoni ran 0.0018 0.0323 0.0323
Loa Loa (eye worm) carboxylesterase 0.0023 0.0503 0.0503
Brugia malayi Carboxylesterase family protein 0.0023 0.0503 0.0503
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0068 0.2179 0.2179
Schistosoma mansoni acetylcholinesterase 0.0023 0.0503 0.0503
Onchocerca volvulus 0.0023 0.0503 0.5
Echinococcus multilocularis GA binding protein alpha chain 0.0068 0.2179 0.2179
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0503 0.0503
Plasmodium falciparum histone acetyltransferase GCN5 0.0075 0.2426 1
Echinococcus multilocularis importin subunit beta 1 0.0025 0.0571 0.0571
Schistosoma mansoni importin beta-1 0.0025 0.0571 0.0571
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.1611 1
Brugia malayi hypothetical protein 0.0023 0.0503 0.0503
Echinococcus granulosus acetylcholinesterase 0.0138 0.4794 0.4938
Loa Loa (eye worm) carboxylesterase 0.0023 0.0503 0.0503
Loa Loa (eye worm) hypothetical protein 0.0138 0.4794 0.4794
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0081 0.268 1
Brugia malayi RNA, U transporter 1 0.0071 0.2305 0.2305
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0268 0.9671 0.9671
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0018 0.0323 0.0323
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0503 0.0503
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0053 0.1611 1
Loa Loa (eye worm) hypothetical protein 0.013 0.4503 0.4503
Echinococcus multilocularis muscleblind protein 1 0.013 0.4503 0.4503
Trichomonas vaginalis importin beta-1, putative 0.002 0.0393 0.0299
Brugia malayi hypothetical protein 0.0033 0.0862 0.0862
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.0503 0.0765
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1304 0.1304
Echinococcus multilocularis muscleblind protein 0.013 0.4503 0.4503
Echinococcus granulosus snurportin 1 0.0268 0.9671 0.9961
Echinococcus granulosus histone acetyltransferase KAT2B 0.0269 0.9709 1
Schistosoma mansoni hypothetical protein 0.0033 0.0862 0.0862
Entamoeba histolytica hypothetical protein 0.0033 0.0862 0.2565
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0081 0.268 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0033 0.0862 0.0862
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0393 0.0299
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0138 0.4794 0.4794
Entamoeba histolytica acetyltransferase, GNAT family 0.0075 0.2426 1
Schistosoma mansoni transcription factor LCR-F1 0.0033 0.0862 0.0862
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1304 0.1343
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.1611 0.1611
Schistosoma mansoni ran 0.0018 0.0323 0.0323
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0503 0.0503
Brugia malayi Fli-1 protein 0.0207 0.7367 0.7367
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0081 0.268 1
Entamoeba histolytica hypothetical protein 0.0033 0.0862 0.2565
Schistosoma mansoni gabp alpha 0.0068 0.2179 0.2179
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0053 0.1611 1
Onchocerca volvulus 0.0023 0.0503 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0025 0.0571 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1304 0.1304
Loa Loa (eye worm) hypothetical protein 0.013 0.4503 0.4503
Trypanosoma cruzi importin beta-1 subunit, putative 0.002 0.0393 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0503 0.0503
Leishmania major importin beta-1 subunit, putative 0.002 0.0393 0.0547
Plasmodium falciparum importin beta, putative 0.0025 0.0571 0.1181
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.1611 0.1611
Brugia malayi Ets-domain containing protein 0.0068 0.2179 0.2179
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0018 0.0323 0.0323
Brugia malayi Carboxylesterase family protein 0.0023 0.0503 0.0503
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.1611 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1304 0.1343
Brugia malayi Carboxylesterase family protein 0.0023 0.0503 0.0503
Brugia malayi Carboxylesterase family protein 0.0138 0.4794 0.4794
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0053 0.1611 0.1659
Loa Loa (eye worm) hypothetical protein 0.0023 0.0503 0.0503
Loa Loa (eye worm) acetylcholinesterase 1 0.0138 0.4794 0.4794
Loa Loa (eye worm) acetyltransferase 0.0277 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0503 0.0503
Echinococcus multilocularis neuroligin 0.0023 0.0503 0.0503
Brugia malayi Carboxylesterase family protein 0.0023 0.0503 0.0503
Toxoplasma gondii aldehyde dehydrogenase 0.0053 0.1611 0.5466
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0277 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0503 0.0503
Entamoeba histolytica hypothetical protein 0.002 0.0393 0.0335
Loa Loa (eye worm) hypothetical protein 0.0023 0.0503 0.0503
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1304 0.1304
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0018 0.0323 0.0323
Loa Loa (eye worm) carboxylesterase 0.0138 0.4794 0.4794
Schistosoma mansoni ets-related 0.0207 0.7367 0.7367
Onchocerca volvulus 0.0023 0.0503 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0075 0.2426 1
Echinococcus multilocularis acetylcholinesterase 0.0138 0.4794 0.4794
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0503 0.0518
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1304 0.1304
Echinococcus granulosus GTP binding nuclear protein Ran 0.0018 0.0323 0.0332
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.1611 1
Brugia malayi Muscleblind-like protein 0.013 0.4503 0.4503
Echinococcus granulosus muscleblind protein 0.013 0.4503 0.4638
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0503 0.0518
Echinococcus multilocularis acetylcholinesterase 0.0138 0.4794 0.4794
Brugia malayi Ets-domain containing protein 0.0068 0.2179 0.2179
Echinococcus multilocularis carboxylesterase 5A 0.0138 0.4794 0.4794
Echinococcus granulosus importin subunit beta 1 0.0025 0.0571 0.0588
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.0503 0.0765
Onchocerca volvulus 0.0023 0.0503 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0277 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1304 0.1304
Onchocerca volvulus 0.0023 0.0503 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0503 0.0503
Brugia malayi Carboxylesterase family protein 0.0138 0.4794 0.4794
Echinococcus granulosus carboxylesterase 5A 0.0138 0.4794 0.4938
Brugia malayi Importin beta-1 subunit 0.0025 0.0571 0.0571
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1304 0.1304
Loa Loa (eye worm) hypothetical protein 0.0023 0.0503 0.0503
Toxoplasma gondii HEAT repeat-containing protein 0.0025 0.0571 0.1054
Trypanosoma brucei importin beta-1 subunit, putative 0.0025 0.0571 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0503 0.0503
Loa Loa (eye worm) hypothetical protein 0.0058 0.1809 0.1809
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0033 0.0862 0.0888
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0393 0.0299
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0081 0.268 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0503 0.0503
Entamoeba histolytica hypothetical protein 0.0033 0.0862 0.2565
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0503 0.0503
Entamoeba histolytica hypothetical protein 0.0033 0.0862 0.2565
Echinococcus granulosus acetylcholinesterase 0.0138 0.4794 0.4938
Loa Loa (eye worm) fli-1 protein 0.0207 0.7367 0.7367
Schistosoma mansoni gliotactin 0.0023 0.0503 0.0503
Schistosoma mansoni hypothetical protein 0.0268 0.9671 0.9671
Echinococcus granulosus neuroligin 0.0023 0.0503 0.0518
Echinococcus granulosus GA binding protein alpha chain 0.0068 0.2179 0.2244
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0503 0.0518
Plasmodium vivax importin-beta 2, putative 0.0025 0.0571 0.1054
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0053 0.1611 0.1611
Loa Loa (eye worm) hypothetical protein 0.0138 0.4794 0.4794
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1304 0.1304
Trichomonas vaginalis bromodomain-containing protein, putative 0.0081 0.268 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0571 0.0571
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0503 0.0503
Echinococcus granulosus histone acetyltransferase KAT2B 0.0081 0.268 0.276

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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