Detailed information for compound 1220758

Basic information

Technical information
  • TDR Targets ID: 1220758
  • Name: 4-chloro-2-methyl-5-[4-(4-propan-2-ylbenzoyl) piperazin-1-yl]pyridazin-3-one
  • MW: 374.865 | Formula: C19H23ClN4O2
  • H donors: 0 H acceptors: 2 LogP: 2.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)C(C)C)N1CCN(CC1)c1cnn(c(=O)c1Cl)C
  • InChi: 1S/C19H23ClN4O2/c1-13(2)14-4-6-15(7-5-14)18(25)24-10-8-23(9-11-24)16-12-21-22(3)19(26)17(16)20/h4-7,12-13H,8-11H2,1-3H3
  • InChiKey: WOGPCHVJXYGBKZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-5-[4-(4-isopropylbenzoyl)piperazin-1-yl]-2-methyl-pyridazin-3-one
  • 4-chloro-5-[4-[(4-isopropylphenyl)-oxomethyl]-1-piperazinyl]-2-methyl-3-pyridazinone
  • 4-chloro-2-methyl-5-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]pyridazin-3-one
  • 4-Chloro-5-[4-(4-isopropyl-benzoyl)-piperazin-1-yl]-2-methyl-2H-pyridazin-3-one
  • BAS 12285033
  • MLS000718642
  • SMR000290910
  • STOCK5S-98341
  • ZINC04488144

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.2785 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2959 0.0241
Loa Loa (eye worm) RNA binding protein 0.0066 0.2959 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2785 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2959 0.0241
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2959 0.0241
Schistosoma mansoni hypothetical protein 0.0178 1 1
Schistosoma mansoni hypothetical protein 0.0178 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0683 0.5
Brugia malayi hypothetical protein 0.003 0.0683 0.231
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0683 0.5
Echinococcus multilocularis geminin 0.0178 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.2959 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2785 0.5
Brugia malayi TAR-binding protein 0.0066 0.2959 1
Loa Loa (eye worm) TAR-binding protein 0.0066 0.2959 1
Brugia malayi RNA binding protein 0.0066 0.2959 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0683 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2959 0.0241
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.2785 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2785 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.2785 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0683 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0683 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2959 0.0241
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.2959 1
Echinococcus multilocularis tar DNA binding protein 0.0066 0.2959 0.0241
Echinococcus granulosus tar DNA binding protein 0.0066 0.2959 0.0241
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0683 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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
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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