Detailed information for compound 1530127

Basic information

Technical information
  • TDR Targets ID: 1530127
  • Name: N-(5,6-dimethyl-7-phenylpyrrolo[3,2-e]pyrimid in-4-yl)-N',N'-dimethylethane-1,2-diamine
  • MW: 309.409 | Formula: C18H23N5
  • H donors: 1 H acceptors: 2 LogP: 3.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCNc1ncnc2c1c(C)c(n2c1ccccc1)C)C
  • InChi: 1S/C18H23N5/c1-13-14(2)23(15-8-6-5-7-9-15)18-16(13)17(20-12-21-18)19-10-11-22(3)4/h5-9,12H,10-11H2,1-4H3,(H,19,20,21)
  • InChiKey: SDGWTLVQEJMDCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5,6-dimethyl-7-phenyl-pyrrolo[3,2-e]pyrimidin-4-yl)-N',N'-dimethyl-ethane-1,2-diamine
  • N-(5,6-dimethyl-7-phenyl-4-pyrrolo[3,2-e]pyrimidinyl)-N',N'-dimethylethane-1,2-diamine
  • 2-dimethylaminoethyl-(5,6-dimethyl-7-phenyl-pyrrolo[3,2-e]pyrimidin-4-yl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.017 0.3877 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.017 0.3877 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.017 0.3877 0.5
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.017 0.3877 0.5
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0153 0.3445 0.3445
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.017 0.3877 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.017 0.3877 0.5
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1046 0.2697
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.017 0.3877 1
Loa Loa (eye worm) hypothetical protein 0.017 0.3877 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.017 0.3877 1
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.017 0.3877 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1058 0.2729
Echinococcus multilocularis lysosomal protective protein 0.017 0.3877 0.3877
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1058 0.2729
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0568 0.1466
Loa Loa (eye worm) hypothetical protein 0.006 0.1058 0.2729
Echinococcus granulosus lysosomal protective protein 0.017 0.3877 0.3877
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0153 0.3445 0.3445
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.017 0.3877 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0568 0.1466
Schistosoma mansoni hypothetical protein 0.0041 0.0568 0.1466
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1058 0.2729
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.017 0.3877 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.017 0.3877 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1046 0.2697

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.