Detailed information for compound 418188

Basic information

Technical information
  • TDR Targets ID: 418188
  • Name: 1-[(3R,3aR)-3-(4-fluorophenyl)-3,3a,4,5-tetra hydrobenzo[g]indazol-2-yl]ethanone
  • MW: 308.349 | Formula: C19H17FN2O
  • H donors: 0 H acceptors: 1 LogP: 3.23 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)[C@@H]1N(N=C2[C@@H]1CCc1c2cccc1)C(=O)C
  • InChi: 1S/C19H17FN2O/c1-12(23)22-19(14-6-9-15(20)10-7-14)17-11-8-13-4-2-3-5-16(13)18(17)21-22/h2-7,9-10,17,19H,8,11H2,1H3/t17-,19-/m0/s1
  • InChiKey: ZDYVODWJRABWDL-HKUYNNGSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00159453

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
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1898 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1898 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7133 0.7133
Loa Loa (eye worm) hypothetical protein 0.0041 0.3782 0.2326
Leishmania major hypothetical protein, conserved 0.003 0.1898 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1898 0.5
Brugia malayi TAR-binding protein 0.0076 1 1
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7133 0.7133
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1898 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.7133 0.6462
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1898 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1898 0.5
Brugia malayi hypothetical protein 0.003 0.1898 0.1898
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7133 0.6462
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 1 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1898 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.3782 0.3782
Echinococcus multilocularis tar DNA binding protein 0.0076 1 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 5.4 uM Inhibition of TNF alpha-induced necroptosis in FADD-deficient variant human Jurkat T cells assessed as cell viability after 24 hrs ChEMBL. 17361994
EC50 (functional) = 5.4 uM Inhibition of TNF alpha-induced necroptosis in FADD-deficient variant human Jurkat T cells assessed as cell viability after 24 hrs ChEMBL. 17361994

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17361994

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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