Detailed information for compound 1418051

Basic information

Technical information
  • TDR Targets ID: 1418051
  • Name: 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-y l)sulfonylpiperazine
  • MW: 354.855 | Formula: C15H19ClN4O2S
  • H donors: 0 H acceptors: 3 LogP: 2 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1cn(nc1C)C
  • InChi: 1S/C15H19ClN4O2S/c1-12-15(11-18(2)17-12)23(21,22)20-8-6-19(7-9-20)14-5-3-4-13(16)10-14/h3-5,10-11H,6-9H2,1-2H3
  • InChiKey: PNOCSMFFFFOHHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazine
  • 1-(3-chlorophenyl)-4-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]piperazine
  • IVK/0019605
  • ZINC06715439

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0437 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0257 0.5694 0.5694
Loa Loa (eye worm) hypothetical protein 0.0036 0.0413 0.0413
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0413 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0437 1 1
Echinococcus multilocularis tar DNA binding protein 0.0341 0.7704 0.7704
Schistosoma mansoni tar DNA-binding protein 0.0341 0.7704 0.7704
Brugia malayi MH2 domain containing protein 0.0257 0.5694 0.5694
Brugia malayi Pre-SET motif family protein 0.0036 0.0413 0.0413
Brugia malayi RNA recognition motif domain containing protein 0.0341 0.7704 0.7704
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0141 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0141 0.0141
Schistosoma mansoni tar DNA-binding protein 0.0341 0.7704 0.7704
Plasmodium vivax SET domain protein, putative 0.0036 0.0413 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0141 0.5
Loa Loa (eye worm) RNA binding protein 0.0341 0.7704 0.7704
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0141 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0413 0.0413
Schistosoma mansoni tar DNA-binding protein 0.0341 0.7704 0.7704
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0381 0.0381
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0141 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0413 0.0413
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6391 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0437 1 1
Brugia malayi Pre-SET motif family protein 0.0251 0.556 0.556
Loa Loa (eye worm) transcription factor SMAD2 0.0257 0.5694 0.5694
Schistosoma mansoni tar DNA-binding protein 0.0341 0.7704 0.7704
Loa Loa (eye worm) TAR-binding protein 0.0341 0.7704 0.7704
Brugia malayi RNA binding protein 0.0341 0.7704 0.7704
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0437 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0437 1 1
Leishmania major hypothetical protein, conserved 0.0025 0.0141 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0413 0.0413
Schistosoma mansoni hypothetical protein 0.0205 0.4444 0.4444
Brugia malayi hypothetical protein 0.0025 0.0141 0.0141
Onchocerca volvulus 0.0036 0.0413 0.0646
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0413 0.0413
Echinococcus multilocularis geminin 0.0205 0.4444 0.4444
Echinococcus granulosus tar DNA binding protein 0.0341 0.7704 0.7704
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0413 0.0413
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.556 0.556
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0437 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0413 0.0413
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0141 0.5
Brugia malayi TAR-binding protein 0.0341 0.7704 0.7704
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0341 0.7704 0.7704
Echinococcus granulosus geminin 0.0205 0.4444 0.4444
Schistosoma mansoni tar DNA-binding protein 0.0341 0.7704 0.7704
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0437 1 1
Entamoeba histolytica G protein alpha subunit, putative 0.0019 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0437 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.4444 0.4444
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0413 0.0413
Onchocerca volvulus 0.0286 0.6391 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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