Detailed information for compound 310534

Basic information

Technical information
  • TDR Targets ID: 310534
  • Name: N,N,N',N'-tetramethylpropane-1,3-diamine
  • MW: 130.231 | Formula: C7H18N2
  • H donors: 0 H acceptors: 0 LogP: 0.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCN(C)C)C
  • InChi: 1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3
  • InChiKey: DMQSHEKGGUOYJS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(dimethylamino)propyl-dimethyl-amine
  • 3-dimethylaminopropyl-dimethyl-amine
  • 210102-01-5
  • 99233-35-9
  • N,N,N′,N′-Tetramethyl-1,3-propanediamine
  • Bis[(dimethylamino)methyl]methane
  • 1,3-Bis(dimethylamino)propane
  • 1,3-PROPANEDIAMINE, N,N,N',N'-TETRAMETHYL-
  • BRN 1734176
  • Bis((dimethylamino)methyl)methane
  • EINECS 203-818-8
  • N,N,N',N'-Tetramethyl-1,3-diaminopropane
  • N,N,N',N'-Tetramethyl-1,3-propanediamine
  • N,N,N',N'-Tetramethyltrimethylenediamine
  • Tetramethyltrimethylenediamine
  • 549983_ALDRICH

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) hypothetical protein 0.3966 1 1
Onchocerca volvulus 0.3966 1 1
Loa Loa (eye worm) hypothetical protein 0.3966 1 1
Onchocerca volvulus 0.0109 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.3966 1 1
Loa Loa (eye worm) hypothetical protein 0.3966 1 1
Echinococcus multilocularis translocator protein 0.3966 1 0.5
Echinococcus granulosus translocator protein 0.3966 1 0.5
Onchocerca volvulus 0.3966 1 1
Schistosoma mansoni peripheral-type benzodiazepine receptor 0.3966 1 1
Mycobacterium ulcerans tryptophan-rich sensory protein 0.3966 1 0.5
Onchocerca volvulus 0.3966 1 1
Brugia malayi hypothetical protein 0.1601 0.3887 0.3868
Onchocerca volvulus 0.3966 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 33 % Percentage of the diamine which is monoprotonated at pH 7.4 ChEMBL. 9526573
clogP = -0.56 Calculated partition coefficient (clogP) ChEMBL. 9526573
logP (ADMET) = 2.04 Partition coefficient (logP) ChEMBL. 9526573
pK1 = 9.81 Dissociation constant (pK1) ChEMBL. 9526573
pK2 = 7.77 Dissociation constant (pK2) ChEMBL. 9526573
Sp Max (binding) = 22 % Enhanced binding of [3H]-MK-801 to N-methyl-D-aspartate glutamate receptor in presence of spermine ChEMBL. 9526573
Sp Max (binding) = 22 % Enhanced binding of [3H]-MK-801 to N-methyl-D-aspartate glutamate receptor in presence of spermine ChEMBL. 9526573
Sp St (binding) = 103 % Percent [3H]-MK-801 bound to N-methyl-D-aspartate glutamate receptor in the presence of 20 microM spermine assuming 100% in the absence of added diamine. ChEMBL. 9526573
Sp St (binding) = 103 % Percent [3H]-MK-801 bound to N-methyl-D-aspartate glutamate receptor in the presence of 20 microM spermine assuming 100% in the absence of added diamine. ChEMBL. 9526573

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

1 literature reference was collected for this gene.

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