Detailed information for compound 303639

Basic information

Technical information
  • TDR Targets ID: 303639
  • Name: 3-(1-benzylindazol-3-yl)oxy-N,N,2-trimethylpr opan-1-amine
  • MW: 323.432 | Formula: C20H25N3O
  • H donors: 0 H acceptors: 1 LogP: 4.3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CC(COc1nn(c2c1cccc2)Cc1ccccc1)C)C
  • InChi: 1S/C20H25N3O/c1-16(13-22(2)3)15-24-20-18-11-7-8-12-19(18)23(21-20)14-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3
  • InChiKey: ZYNUHEXEYBOYTI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1-benzylindazol-3-yl)oxy-N,N,2-trimethyl-propan-1-amine
  • 3-[(1-benzyl-3-indazolyl)oxy]-N,N,2-trimethyl-1-propanamine
  • N,N,2-trimethyl-3-[1-(phenylmethyl)indazol-3-yl]oxy-propan-1-amine
  • [3-(1-benzylindazol-3-yl)oxy-2-methyl-propyl]-dimethyl-amine
  • N,N,2-trimethyl-3-[1-(phenylmethyl)indazol-3-yl]oxypropan-1-amine
  • N,N,2-trimethyl-3-[[1-(phenylmethyl)-3-indazolyl]oxy]propan-1-amine
  • [3-[1-(benzyl)indazol-3-yl]oxy-2-methyl-propyl]-dimethyl-amine

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 0.0193 1 1
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0656 0.0656
Schistosoma mansoni lipoxygenase 0.01 0.2843 0.2843
Schistosoma mansoni soluble guanylate cyclase gcy 0.017 0.8233 0.8233
Schistosoma mansoni soluble guanylyl cyclase beta-3 0.0161 0.7543 0.7543
Schistosoma mansoni soluble guanylate cyclase gcy 0.0193 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0656 0.0656
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0656 0.0656
Schistosoma mansoni soluble guanylate cyclase gcy 0.017 0.8233 0.8233
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.6126 1
Loa Loa (eye worm) guanylyl cyclase/natriuretic peptide receptor 0.0193 1 1
Schistosoma mansoni soluble guanylate cyclase gcy 0.017 0.8233 0.8233
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.6126 1
Schistosoma mansoni hypothetical protein 0.0161 0.7543 0.7543
Schistosoma mansoni lipoxygenase 0.0142 0.6126 0.6126
Onchocerca volvulus 0.0193 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.18 uM Concentration required to inhibit collagen-induced platelet aggregation by 50% ChEMBL. 11141091
IC50 (functional) = 4.18 uM Concentration required to inhibit collagen-induced platelet aggregation by 50% ChEMBL. 11141091
REA (functional) = 0.62 Bovine sGC stimulation measured as relative enzyme activity (percentage of DEA/NO response for the compound to compound 3) ChEMBL. 11141091

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11141091

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.

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