Detailed information for compound 1551871

Basic information

Technical information
  • TDR Targets ID: 1551871
  • Name: 1-acetyl-N-[1-(4-fluorophenyl)-6,6-dimethyl-5 ,7-dihydro-4H-indazol-4-yl]piperidine-4-carbo xamide
  • MW: 412.5 | Formula: C23H29FN4O2
  • H donors: 1 H acceptors: 3 LogP: 2.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)C(=O)C)NC1CC(C)(C)Cc2c1cnn2c1ccc(cc1)F
  • InChi: 1S/C23H29FN4O2/c1-15(29)27-10-8-16(9-11-27)22(30)26-20-12-23(2,3)13-21-19(20)14-25-28(21)18-6-4-17(24)5-7-18/h4-7,14,16,20H,8-13H2,1-3H3,(H,26,30)
  • InChiKey: FSQHNCWYVAXNSL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-acetyl-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-piperidinecarboxamide
  • 1-acetyl-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]isonipecotamide
  • 1-ethanoyl-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0615 0.3938 0.3938
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0615 0.3938 0.5
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.134 1 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0615 0.3938 0.3938
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.134 1 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.134 1 1
Onchocerca volvulus 0.134 1 0.5
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0615 0.3938 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.134 1 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0615 0.3938 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.134 1 1
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0615 0.3938 0.5
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.134 1 0.5
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0615 0.3938 0.5
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.134 1 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.134 1 1
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0615 0.3938 0.3938
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0615 0.3938 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.134 1 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0615 0.3938 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.134 1 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0615 0.3938 0.5
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0615 0.3938 0.3938
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.134 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0615 0.3938 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.134 1 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0615 0.3938 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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

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.