Detailed information for compound 1314157

Basic information

Technical information
  • TDR Targets ID: 1314157
  • Name: 3'-[2-[4-(4-methylphenyl)sulfonylpiperazin-1- yl]-2-oxoethyl]spiro[chroman-4,5'-imidazolidi ne]-2',4'-dione
  • MW: 498.551 | Formula: C24H26N4O6S
  • H donors: 1 H acceptors: 5 LogP: 1.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CN1C(=O)NC2(C1=O)CCOc1c2cccc1
  • InChi: 1S/C24H26N4O6S/c1-17-6-8-18(9-7-17)35(32,33)27-13-11-26(12-14-27)21(29)16-28-22(30)24(25-23(28)31)10-15-34-20-5-3-2-4-19(20)24/h2-9H,10-16H2,1H3,(H,25,31)
  • InChiKey: SGRGDZVHINYMTG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3'-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]spiro[chroman-4,5'-imidazolidine]-2',4'-dione
  • 3'-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]spiro[chroman-4,5'-imidazolidine]-2',4'-dione
  • 3'-[2-keto-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]spiro[chroman-4,5'-imidazolidine]-2',4'-quinone
  • SMR000067879
  • T5331140
  • MLS000881062
  • MLS001066137
  • MLS000053220

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
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
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
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 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0254 0.1202 0.1202
Giardia lamblia Alanyl dipeptidyl peptidase 0.0254 0.1202 1
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0254 0.1202 0.1217
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0254 0.1202 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0254 0.1202 0.1217
Echinococcus multilocularis prolyl endopeptidase 0.0254 0.1202 0.1202
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.1076 0.5929 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0254 0.1202 1
Trypanosoma brucei oligopeptidase b 0.0254 0.1202 0.1217
Brugia malayi prolyl oligopeptidase family protein 0.0254 0.1202 0.1202
Loa Loa (eye worm) prolyl oligopeptidase 0.0254 0.1202 0.1202
Loa Loa (eye worm) hypothetical protein 0.0254 0.1202 0.1202
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0254 0.1202 0.5
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.1762 0.987 1
Entamoeba histolytica hypothetical protein, conserved 0.0254 0.1202 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0254 0.1202 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0254 0.1202 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0254 0.1202 0.1202
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0572 0.0572
Trypanosoma cruzi prolyl endopeptidase 0.0254 0.1202 0.1217
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0254 0.1202 0.1202
Brugia malayi hypothetical protein 0.0822 0.4471 0.4471
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0254 0.1202 0.1202
Echinococcus granulosus Dipeptidyl peptidase 9 0.1762 0.987 0.987
Brugia malayi MH2 domain containing protein 0.0144 0.0572 0.0572
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.1762 0.987 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.1762 0.987 0.987
Brugia malayi prolyl oligopeptidase family protein 0.0254 0.1202 0.1202
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.1762 0.987 1
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0254 0.1202 0.1217
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0254 0.1202 0.1217
Echinococcus multilocularis acylamino acid releasing enzyme 0.0254 0.1202 0.1202
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0572 0.0572
Entamoeba histolytica prolyl oligopeptidase family protein 0.0254 0.1202 1
Loa Loa (eye worm) hypothetical protein 0.0822 0.4471 0.4471
Plasmodium vivax hypothetical protein, conserved 0.0254 0.1202 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0254 0.1202 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.1762 0.987 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0254 0.1202 0.1217
Trypanosoma cruzi oligopeptidase b 0.0254 0.1202 0.1217
Echinococcus granulosus acylamino acid releasing enzyme 0.0254 0.1202 0.1202
Trypanosoma cruzi hypothetical protein, conserved 0.0254 0.1202 0.1217
Loa Loa (eye worm) hypothetical protein 0.0939 0.5142 0.5142
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0254 0.1202 1
Plasmodium falciparum peptidase, putative 0.0254 0.1202 0.5
Trypanosoma brucei prolyl oligopeptidase, putative 0.0254 0.1202 0.1217
Brugia malayi prolyl oligopeptidase family protein 0.1762 0.987 0.987
Trypanosoma brucei prolyl endopeptidase 0.0254 0.1202 0.1217
Entamoeba histolytica prolyl oligopeptidase family protein 0.0254 0.1202 1
Trichomonas vaginalis conserved hypothetical protein 0.0254 0.1202 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0254 0.1202 1
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0254 0.1202 0.1217
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.1762 0.987 0.987
Leishmania major oligopeptidase b 0.0254 0.1202 0.1217
Loa Loa (eye worm) hypothetical protein 0.0254 0.1202 0.1202
Echinococcus granulosus prolyl endopeptidase 0.0254 0.1202 0.1202
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0254 0.1202 0.1202
Giardia lamblia Alanyl dipeptidyl peptidase 0.0254 0.1202 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.1762 0.987 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0254 0.1202 0.1217
Trypanosoma cruzi oligopeptidase b 0.0254 0.1202 0.1217
Mycobacterium tuberculosis Probable peptidase 0.0254 0.1202 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5858 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) 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 56.2341 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) 100 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

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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