Detailed information for compound 1471538

Basic information

Technical information
  • TDR Targets ID: 1471538
  • Name: 7-[3-(4,5-dihydro-3H-pyrrol-2-ylamino)propyl] -1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dion e
  • MW: 389.452 | Formula: C18H27N7O3
  • H donors: 1 H acceptors: 3 LogP: -0.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(=O)n(C)c2c(c1=O)n(CCCNC1=NCCC1)c(n2)N1CCOCC1
  • InChi: 1S/C18H27N7O3/c1-22-15-14(16(26)23(2)18(22)27)25(8-4-7-20-13-5-3-6-19-13)17(21-15)24-9-11-28-12-10-24/h3-12H2,1-2H3,(H,19,20)
  • InChiKey: UIPHJQCKAPPNKE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[3-(4,5-dihydro-3H-pyrrol-2-ylamino)propyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione
  • 7-[3-(4,5-dihydro-3H-pyrrol-2-ylamino)propyl]-1,3-dimethyl-8-morpholinopurine-2,6-dione
  • 1,3-dimethyl-8-morpholino-7-[3-(1-pyrrolin-2-ylamino)propyl]xanthine
  • 7-[3-(4,5-dihydro-3H-pyrrol-2-ylamino)propyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione
  • A2675/0113978
  • 1,3-Dimethyl-8-(4-morpholinyl)-7-(3-[(2E)-pyrrolidinylideneamino]propyl)-3,7-dihydro-1H-purine-2,6-dione
  • 1,3-Dimethyl-8-morpholin-4-yl-7-[3-(pyrrolidin-2-ylideneamino)-propyl]-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
Onchocerca volvulus 0.001 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.7477 0.7477
Echinococcus granulosus GPCR family 2 0.0017 0.1106 0.1106
Schistosoma mansoni hypothetical protein 0.0017 0.1106 0.1106
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.4528 0.4528
Loa Loa (eye worm) hypothetical protein 0.0017 0.1106 0.1106
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.1106 0.1106
Loa Loa (eye worm) TAR-binding protein 0.0067 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.6497 0.6497
Schistosoma mansoni hypothetical protein 0.0017 0.1106 0.1106
Brugia malayi Latrophilin receptor protein 2 0.0017 0.1106 0.1106
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.6497 0.6497
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.7477 0.7477
Brugia malayi TAR-binding protein 0.0067 1 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.1106 0.1106
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.6497 0.6497
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.6497 0.6497
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.6497 0.6497
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.1106 0.1106
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.6497 0.6497
Loa Loa (eye worm) hypothetical protein 0.0036 0.4528 0.4528
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.1106 0.1106
Loa Loa (eye worm) RNA binding protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.7477 0.7477
Schistosoma mansoni hypothetical protein 0.0017 0.1106 0.1106
Echinococcus granulosus tar DNA binding protein 0.0067 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0067 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 1 1
Echinococcus multilocularis tar DNA binding protein 0.0067 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.6497 0.6497
Schistosoma mansoni hypothetical protein 0.0036 0.4528 0.4528
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.6497 0.6497
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.6497 0.6497
Schistosoma mansoni tar DNA-binding protein 0.0067 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.1106 0.1106
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.1106 0.1106
Schistosoma mansoni tar DNA-binding protein 0.0067 1 1
Schistosoma mansoni hypothetical protein 0.0017 0.1106 0.1106
Schistosoma mansoni tar DNA-binding protein 0.0067 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.7477 0.7477
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.1106 0.1106
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 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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