Detailed information for compound 1494261

Basic information

Technical information
  • TDR Targets ID: 1494261
  • Name: N-ethyl-N-propyl-1H-pyrazolo[4,3-e]pyrimidin- 4-amine
  • MW: 205.26 | Formula: C10H15N5
  • H donors: 1 H acceptors: 3 LogP: 1.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(c1[nH]cnc2c1cnn2)CC
  • InChi: 1S/C10H15N5/c1-3-5-15(4-2)10-8-6-13-14-9(8)11-7-12-10/h6-7H,3-5H2,1-2H3,(H,11,12,13,14)
  • InChiKey: HQOIQJUEUICXQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl-propyl-(1H-pyrazolo[4,3-e]pyrimidin-4-yl)amine
  • 6288-97-7
  • NSC11608

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens chemokine (C-X-C motif) ligand 8 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum LCCL domain-containing protein chemokine (C-X-C motif) ligand 8 99 aa 80 aa 25.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.5 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.5 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.5 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.5 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 9.96 uM PUBCHEM_BIOASSAY: Inhibitors of Epstein-Barr LMP1 inducible NF-kappaB luciferase reporter Measured in Cell-Based System Using Plate Reader - 2122-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504586] ChEMBL. No reference
IC50 (functional) 9.12 uM PubChem BioAssay. Dose Response confirmation of uHTS small molecule hits for cystic fibrosis induced NFkb Inhibitors in a PAF-induced IL8 counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 42.34 uM PubChem BioAssay. Dose Response confirmation of uHTS small molecule hits for cystic fibrosis induced NFkb Inhibitors in a TNFa-induced IL8 counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 89.1251 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
Homo sapiens 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.