Detailed information for compound 1276254

Basic information

Technical information
  • TDR Targets ID: 1276254
  • Name: N'-(3-chlorobenzoyl)-1-(phenylmethyl)piperidi ne-4-carbohydrazide
  • MW: 371.861 | Formula: C20H22ClN3O2
  • H donors: 2 H acceptors: 2 LogP: 3.32 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C(=O)NNC(=O)C1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C20H22ClN3O2/c21-18-8-4-7-17(13-18)20(26)23-22-19(25)16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2,(H,22,25)(H,23,26)
  • InChiKey: STOYKLZQTWFPJJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N'-[(3-chlorophenyl)-oxomethyl]-1-(phenylmethyl)-4-piperidinecarbohydrazide
  • 1-(benzyl)-N'-(3-chlorobenzoyl)isonipecotohydrazide
  • N'-(3-chlorophenyl)carbonyl-1-(phenylmethyl)piperidine-4-carbohydrazide
  • SMR000179823
  • Bionet1_004404
  • 5R-0290
  • MLS000327178
  • N'-[(1-benzyl-4-piperidinyl)carbonyl]-3-chlorobenzenecarbohydrazide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352

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) aspartyl aminopeptidase 0.0077 0.2835 0.2127
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Echinococcus granulosus muscleblind protein 0.018 1 1
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0077 0.2835 0.5
Echinococcus multilocularis aspartyl aminopeptidase 0.0077 0.2835 0.2127
Entamoeba histolytica aminopeptidase, putative 0.0077 0.2835 0.5
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0077 0.2835 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.2835 0.2127
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0077 0.2835 1
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0077 0.2835 0.5
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0077 0.2835 0.5
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0077 0.2835 1
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0077 0.2835 1
Echinococcus multilocularis muscleblind protein 0.018 1 1
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0077 0.2835 0.5
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0077 0.2835 0.5
Echinococcus granulosus aspartyl aminopeptidase 0.0077 0.2835 0.2127
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0077 0.2835 0.5
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0077 0.2835 0.5
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0077 0.2835 0.5
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.2835 0.2127
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0077 0.2835 0.5
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0077 0.2835 0.5
Brugia malayi Aspartyl aminopeptidase 0.0077 0.2835 0.2127
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0077 0.2835 1
Loa Loa (eye worm) hypothetical protein 0.018 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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.

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