Detailed information for compound 1376455

Basic information

Technical information
  • TDR Targets ID: 1376455
  • Name: 5-(2,4-dimethoxyphenyl)-3-phenyl-1-phenylsulf onyl-4,5-dihydropyrazole
  • MW: 422.497 | Formula: C23H22N2O4S
  • H donors: 0 H acceptors: 2 LogP: 3.99 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)OC)C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1
  • InChi: 1S/C23H22N2O4S/c1-28-18-13-14-20(23(15-18)29-2)22-16-21(17-9-5-3-6-10-17)24-25(22)30(26,27)19-11-7-4-8-12-19/h3-15,22H,16H2,1-2H3
  • InChiKey: FAMPLQQEDHHHGT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Oprea1_791734
  • ChemDivAM_000489
  • ChemDiv1_008772
  • 5-(2,4-dimethoxyphenyl)-3-phenyl-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazole
  • MLS000704501
  • SMR000231856
  • AP-845/41402460
  • EU-0042780

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
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
Trichomonas vaginalis conserved hypothetical protein 0.0134 0.376 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0134 0.376 0.5
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0134 0.376 0.679
Loa Loa (eye worm) hypothetical protein 0.0048 0.0593 0.1073
Loa Loa (eye worm) hypothetical protein 0.0182 0.5528 1
Echinococcus granulosus caspase 8 0.0134 0.376 0.3746
Echinococcus granulosus apoptotic protease activating factor 1 0.0048 0.0593 0.0573
Echinococcus granulosus caspase 2 0.0182 0.5528 0.5518
Echinococcus multilocularis apoptotic protease activating factor 1 0.0048 0.0593 0.0573
Echinococcus granulosus caspase 0.0304 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0134 0.376 0.5
Trypanosoma brucei metacaspase MCA2 0.0134 0.376 0.5
Onchocerca volvulus 0.0048 0.0593 0.1038
Trichomonas vaginalis conserved hypothetical protein 0.0134 0.376 0.5
Plasmodium falciparum metacaspase 1 0.0134 0.376 0.5
Leishmania major metacaspase, putative 0.0134 0.376 0.5
Trypanosoma cruzi metacaspase, putative 0.0134 0.376 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0022 0.004
Trypanosoma cruzi metacaspase, putative 0.0134 0.376 0.5
Echinococcus multilocularis caspase 3 0.017 0.5066 0.5055
Trichomonas vaginalis conserved hypothetical protein 0.0134 0.376 0.5
Plasmodium falciparum metacaspase-like protein 0.0134 0.376 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0134 0.376 0.5
Schistosoma mansoni caspase-7 (C14 family) 0.0182 0.5528 0.5518
Trypanosoma brucei metacaspase 5, putative 0.0134 0.376 0.5
Echinococcus multilocularis caspase 2 0.0182 0.5528 0.5518
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0134 0.376 0.3746
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0134 0.376 0.5
Plasmodium vivax hypothetical protein, conserved 0.0134 0.376 0.5
Trypanosoma cruzi metacaspase, putative 0.0134 0.376 0.5
Plasmodium vivax metacaspase 1, putative 0.0134 0.376 0.5
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0134 0.376 0.5
Schistosoma mansoni caspase-3 (C14 family) 0.0304 1 1
Echinococcus granulosus caspase 3 0.017 0.5066 0.5055
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0134 0.376 0.5
Onchocerca volvulus Cell death protein 3 homolog 0.0182 0.5528 1
Trichomonas vaginalis conserved hypothetical protein 0.0134 0.376 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0134 0.376 0.5
Echinococcus multilocularis caspase 0.0304 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0134 0.376 0.5
Trypanosoma cruzi metacaspase 5, putative 0.0134 0.376 0.5
Trypanosoma brucei metacaspase 0.0134 0.376 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0022 0.004
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0134 0.376 0.5
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0304 1 1
Trypanosoma brucei Metacaspase-4 0.0134 0.376 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0134 0.376 0.5
Brugia malayi Cell death protein 3 precursor 0.0182 0.5528 1
Echinococcus multilocularis caspase 8 0.0134 0.376 0.3746
Schistosoma mansoni caspase-7 (C14 family) 0.0304 1 1
Trypanosoma brucei metacaspase MCA3 0.0134 0.376 0.5
Brugia malayi hypothetical protein 0.0048 0.0593 0.1038
Trichomonas vaginalis conserved hypothetical protein 0.0134 0.376 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0022 0.004
Trypanosoma cruzi metacaspase 5, putative 0.0134 0.376 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 0.376 0.6802
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0134 0.376 0.5
Trypanosoma cruzi metacaspase, putative 0.0134 0.376 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0134 0.376 0.5
Schistosoma mansoni hypothetical protein 0.0048 0.0593 0.0573
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0134 0.376 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Saccharomyces cerevisiae 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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