Detailed information for compound 1637366

Basic information

Technical information
  • TDR Targets ID: 1637366
  • Name: dimethyl-[2-[(1,3,7-trimethyl-2,6-dioxopurin- 8-yl)amino]ethyl]azanium chloride
  • MW: 316.787 | Formula: C12H21ClN6O2
  • H donors: 1 H acceptors: 3 LogP: 0.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCNc1nc2c(n1C)c(=O)n(c(=O)n2C)C)C.Cl
  • InChi: 1S/C12H20N6O2.ClH/c1-15(2)7-6-13-11-14-9-8(16(11)3)10(19)18(5)12(20)17(9)4;/h6-7H2,1-5H3,(H,13,14);1H
  • InChiKey: WPSBGTILXSYPSF-UHFFFAOYSA-N  

Network

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Synonyms

  • dimethyl-[2-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)amino]ethyl]ammonium chloride
  • dimethyl-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)amino]ethyl]ammonium chloride
  • 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)amino]ethyl-dimethyl-ammonium chloride
  • dimethyl-[2-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)amino]ethyl]azanium chloride
  • NSC130843

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
Brugia malayi Na/Ca eXchangers family member (ncx-4) 0.0127 0.0183 0.0463
Brugia malayi K+-dependent Na+/Ca+ exchanger related-protein 0.0127 0.0183 0.0463
Loa Loa (eye worm) hypothetical protein 0.0077 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0127 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.2015 0.3958 0.3958
Echinococcus multilocularis sodium:potassium:calcium exchanger 0.0127 0.0183 0.0183
Loa Loa (eye worm) Na/Ca eXchangers family member 0.0127 0.0183 0.0183
Loa Loa (eye worm) solute carrier family 8 0.5037 1 1
Echinococcus granulosus geminin 0.0369 0.0667 0.0667
Loa Loa (eye worm) hypothetical protein 0.0112 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0127 0.0183 0.0183
Schistosoma mansoni hypothetical protein 0.0369 0.0667 0.0667
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.0153 0.0153
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.0153 0.0387
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0127 0.0183 0.0183
Plasmodium falciparum cation/H+ antiporter 0.0127 0.0183 0.5
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0127 0.0183 0.0183
Onchocerca volvulus Sodium\/potassium\/calcium exchanger 0.0127 0.0183 0.5
Mycobacterium tuberculosis Probable ionic transporter integral membrane protein ChaA 0.0127 0.0183 0.5
Mycobacterium leprae Probable ionic transporter integral membrane protein ChaA 0.0127 0.0183 0.5
Loa Loa (eye worm) hypothetical protein 0.0127 0.0183 0.0183
Schistosoma mansoni hypothetical protein 0.0369 0.0667 0.0667
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.0082 0.0208
Entamoeba histolytica sodium/calcium exchanger protein, putative 0.0127 0.0183 0.5
Schistosoma mansoni hypothetical protein 0.0127 0.0183 0.0183
Schistosoma mansoni hypothetical protein 0.0077 0.0082 0.0082
Treponema pallidum hypothetical protein 0.0127 0.0183 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0888 0.1706 1
Echinococcus multilocularis geminin 0.0369 0.0667 0.0667
Echinococcus multilocularis sodium:potassium:calcium exchanger 6 0.0127 0.0183 0.0183
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0943 0.1815 0.1815
Plasmodium vivax cation/H+ antiporter, putative 0.0127 0.0183 0.5
Schistosoma mansoni na/ca exchanger 0.0127 0.0183 0.0183
Toxoplasma gondii manganese resistance 1 protein, putative 0.0127 0.0183 0.5
Brugia malayi Sodium/calcium exchanger protein 0.2015 0.3958 1
Schistosoma mansoni sodium/calcium exchanger 0.5037 1 1
Echinococcus multilocularis sodium calcium exchanger 0.5037 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.0153 0.0387
Echinococcus granulosus sodium:potassium:calcium exchanger 0.0127 0.0183 0.0183
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0888 0.1706 1
Echinococcus granulosus sodium:potassium:calcium exchanger 6 0.0127 0.0183 0.0183

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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