Detailed information for compound 1307284

Basic information

Technical information
  • TDR Targets ID: 1307284
  • Name: N-(2,3-dihydro-1H-inden-1-yl)-1-[4-(tetrazol- 1-yl)phenyl]sulfonylpiperidine-4-carboxamide
  • MW: 452.529 | Formula: C22H24N6O3S
  • H donors: 1 H acceptors: 6 LogP: 2.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)n1cnnn1)NC1CCc2c1cccc2
  • InChi: 1S/C22H24N6O3S/c29-22(24-21-10-5-16-3-1-2-4-20(16)21)17-11-13-27(14-12-17)32(30,31)19-8-6-18(7-9-19)28-15-23-25-26-28/h1-4,6-9,15,17,21H,5,10-14H2,(H,24,29)
  • InChiKey: SPGHGNRTCMAGBC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-indan-1-yl-1-[4-(tetrazol-1-yl)phenyl]sulfonyl-piperidine-4-carboxamide
  • N-(1-indanyl)-1-[4-(1-tetrazolyl)phenyl]sulfonyl-4-piperidinecarboxamide
  • N-indan-1-yl-1-[4-(tetrazol-1-yl)phenyl]sulfonyl-isonipecotamide
  • N-(2,3-dihydro-1H-inden-1-yl)-1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperidine-4-carboxamide
  • ASN 05439639
  • 1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-4-carboxylic acid indan-1-ylamide
  • MLS000033415
  • SMR000004643

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum hypothetical protein 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
Schistosoma japonicum expressed 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis conserved hypothetical protein 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 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
Cryptosporidium hominis ubiquitin specific protease 66 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
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family 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
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 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
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 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
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 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
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 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
Candida albicans ubiquitin-specific protease 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
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 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
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 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 ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, 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
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 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
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 mixed-lineage leukemia protein mll 0.0005 0.0127 0.0127
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.5839 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0956 0.0587
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.5839 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0542 0.09
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0542 0.09
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5839 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.5839 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.4403 0.7071
Schistosoma mansoni cpg binding protein 0.0035 0.4403 0.4403
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0542 0.09
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.5839 1
Echinococcus multilocularis cpg binding protein 0.0037 0.4688 0.7781
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0542 0.09
Onchocerca volvulus 0.0035 0.4403 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.4688 0.4688
Plasmodium falciparum zinc finger protein, putative 0.0004 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0542 0.09
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0542 0.09
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.5839 0.5839
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.5839 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.5839 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0542 0.09
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.5839 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5839 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0542 0.09
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5839 0.5
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.5839 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0542 0.09
Schistosoma mansoni cpg binding protein 0.0037 0.4688 0.4688
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0542 0.09
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0542 0.09
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.5839 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.5839 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0542 0.09
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.5839 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8869 0.5
Trichomonas vaginalis helicase, putative 0.0008 0.0542 0.09
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.5839 0.5839
Echinococcus granulosus cpg binding protein 0.0037 0.4688 0.7781
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4403 0.706
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0542 0.09
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0651 0.0651
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.5839 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0542 0.09
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0542 0.09
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.5839 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.5839 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0542 0.09
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0956 0.0587
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0542 0.09

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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