Detailed information for compound 1165443

Basic information

Technical information
  • TDR Targets ID: 1165443
  • Name: 2-(phenylamino)-9-[4-[2-(piperidin-1-ylmethyl )pyrrolidin-1-yl]butyl]-3H-purin-6-one
  • MW: 449.592 | Formula: C25H35N7O
  • H donors: 2 H acceptors: 4 LogP: 4.03 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(Nc2ccccc2)nc2c1ncn2CCCCN1CCCC1CN1CCCCC1
  • InChi: 1S/C25H35N7O/c33-24-22-23(28-25(29-24)27-20-10-3-1-4-11-20)32(19-26-22)16-8-7-15-31-17-9-12-21(31)18-30-13-5-2-6-14-30/h1,3-4,10-11,19,21H,2,5-9,12-18H2,(H2,27,28,29,33)
  • InChiKey: HAJPJLMUWGYXIF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(phenylamino)-9-[4-[2-(1-piperidylmethyl)pyrrolidin-1-yl]butyl]-3H-purin-6-one
  • 2-(phenylamino)-9-[4-[2-(1-piperidylmethyl)-1-pyrrolidinyl]butyl]-3H-purin-6-one
  • 2-(phenylamino)-9-[4-[2-(piperidinomethyl)pyrrolidin-1-yl]butyl]-3H-purin-6-one
  • 6H-Purin-6-one, 1,9-dihydro-2-(phenylamino)-9-[4-[2-(1-piperidinylmethyl)-1-pyrrolidinyl]butyl]-
  • AIDS-280046
  • AIDS280046

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 musashi 0.0028 0.0539 0.0231
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1403 0.1403
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0539 0.0539
Leishmania major hypothetical protein, conserved 0.0027 0.0511 0.113
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.2047 1
Onchocerca volvulus 0.0052 0.1545 1
Echinococcus granulosus lamin 0.0028 0.0539 0.0231
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0539 0.0539
Brugia malayi intermediate filament protein 0.0028 0.0539 0.0539
Schistosoma mansoni tar DNA-binding protein 0.0136 0.5028 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.4514 0.4514
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.07 1
Schistosoma mansoni lamin 0.0028 0.0539 0.0474
Loa Loa (eye worm) RNA binding protein 0.0136 0.5028 0.5028
Entamoeba histolytica hypothetical protein 0.0038 0.0971 0.5
Loa Loa (eye worm) TAR-binding protein 0.0136 0.5028 0.5028
Brugia malayi MH2 domain containing protein 0.0124 0.4514 0.4514
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0971 0.0677
Schistosoma mansoni lamin 0.0028 0.0539 0.0474
Schistosoma mansoni intermediate filament proteins 0.0028 0.0539 0.0474
Schistosoma mansoni tar DNA-binding protein 0.0136 0.5028 1
Echinococcus multilocularis lamin dm0 0.0028 0.0539 0.0231
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1403 0.1124
Schistosoma mansoni hypothetical protein 0.0052 0.1545 0.261
Loa Loa (eye worm) hypothetical protein 0.0028 0.0539 0.0539
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.07 0.2223
Entamoeba histolytica hypothetical protein 0.0038 0.0971 0.5
Echinococcus granulosus lamin dm0 0.0028 0.0539 0.0231
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0971 0.1392
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0511 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2047 0.3675
Schistosoma mansoni tar DNA-binding protein 0.0136 0.5028 1
Leishmania major cytochrome p450-like protein 0.0032 0.07 0.2223
Brugia malayi hypothetical protein 0.0038 0.0971 0.0971
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0971 0.0677
Brugia malayi RNA binding protein 0.0136 0.5028 0.5028
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0511 0.5081
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1403 0.1124
Entamoeba histolytica hypothetical protein 0.0038 0.0971 0.5
Echinococcus granulosus intermediate filament protein 0.0028 0.0539 0.0231
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0511 0.5081
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.2047 1
Loa Loa (eye worm) cytochrome P450 0.0023 0.0315 0.0315
Schistosoma mansoni tar DNA-binding protein 0.0136 0.5028 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2047 1
Entamoeba histolytica hypothetical protein 0.0038 0.0971 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0511 0.0511
Trypanosoma brucei cytochrome P450, putative 0.0032 0.07 1
Schistosoma mansoni survival motor neuron protein 0.0052 0.1545 0.261
Brugia malayi Cytochrome P450 family protein 0.0032 0.07 0.07
Echinococcus multilocularis survival motor neuron protein 1 0.0256 1 1
Brugia malayi hypothetical protein 0.0027 0.0511 0.0511
Brugia malayi hypothetical protein 0.0018 0.0109 0.0109
Brugia malayi TAR-binding protein 0.0136 0.5028 0.5028
Loa Loa (eye worm) hypothetical protein 0.0256 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1403 0.2309
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1403 0.1124
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.07 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0084 0.2843 0.2843
Mycobacterium leprae Conserved hypothetical protein 0.0023 0.0315 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1403 0.1124
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0511 0.113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1403 0.2309
Brugia malayi Cytochrome P450 family protein 0.0023 0.0315 0.0315
Echinococcus multilocularis tar DNA binding protein 0.0136 0.5028 0.4866
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.5028 0.5028
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0511 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.07 0.07
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1403 0.1403
Schistosoma mansoni tar DNA-binding protein 0.0136 0.5028 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2047 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.2047 0.1788
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.1545 0.1545
Echinococcus granulosus tar DNA binding protein 0.0136 0.5028 0.4866
Loa Loa (eye worm) CYP4Cod1 0.0032 0.07 0.07
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.4514 0.4514
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0511 0.5081
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.07 0.07
Loa Loa (eye worm) hypothetical protein 0.0027 0.0517 0.0517
Brugia malayi Cytochrome P450 family protein 0.0084 0.2843 0.2843
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2047 0.3675
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0539 0.0539
Brugia malayi cytochrome P450 0.0023 0.0315 0.0315
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.2047 0.1788
Brugia malayi Cytochrome P450 family protein 0.0032 0.07 0.07
Echinococcus granulosus survival motor neuron protein 1 0.0256 1 1
Echinococcus multilocularis lamin 0.0028 0.0539 0.0231
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2047 1
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0511 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.5028 0.5028
Mycobacterium leprae putative cytochrome p450 0.0023 0.0315 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1403 0.2309
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.2047 1
Schistosoma mansoni hypothetical protein 0.0038 0.0971 0.1392

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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