Detailed information for compound 1483218

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 457.5 | Formula: C22H23N3O6S
  • H donors: 2 H acceptors: 5 LogP: 1.65 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(OC(C(=O)Nc1ccc(cc1)C(=O)C)C)CCCNC1=NS(=O)(=O)c2c1cccc2
  • InChi: 1S/C22H23N3O6S/c1-14(26)16-9-11-17(12-10-16)24-22(28)15(2)31-20(27)8-5-13-23-21-18-6-3-4-7-19(18)32(29,30)25-21/h3-4,6-7,9-12,15H,5,8,13H2,1-2H3,(H,23,25)(H,24,28)
  • InChiKey: YGBIDDKZXPBKBW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0379 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0234 0.0234
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0128 0.3188 1
Loa Loa (eye worm) prolyl oligopeptidase 0.003 0.0551 0.0551
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.0234 0.0234
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0018 0.0234 0.0234
Echinococcus multilocularis acylamino acid releasing enzyme 0.003 0.0551 0.0551
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.0234 0.0234
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0761 0.0761
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.003 0.0551 0.5
Echinococcus granulosus protein kinase c epsilon type 0.0017 0.0196 0.0196
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.0234 0.0234
Echinococcus multilocularis RNA directed DNA polymerase 0.0042 0.0878 0.0878
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0234
Brugia malayi prolyl oligopeptidase family protein 0.003 0.0551 0.0551
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0109 0.2688 0.2688
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0234 0.0234
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.0234 0.0234
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0234
Echinococcus granulosus RNA directed DNA polymerase 0.0042 0.0878 0.0878
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0234 0.0234
Echinococcus granulosus FTZ F1 alpha 0.0018 0.0234 0.0234
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.003 0.0551 0.0551
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.003 0.0551 0.0551
Giardia lamblia Alanyl dipeptidyl peptidase 0.003 0.0551 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0234 0.0234
Echinococcus granulosus Dipeptidyl peptidase 9 0.0128 0.3188 0.3188
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.0234 0.0234
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0119 0.2951 0.2951
Loa Loa (eye worm) hypothetical protein 0.003 0.0551 0.0551
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.0234 0.0234
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0128 0.3188 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0761 0.0761
Echinococcus multilocularis serine threonine protein kinase 0.0053 0.1162 0.1162
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0044 0.092 0.092
Plasmodium vivax hypothetical protein, conserved 0.003 0.0551 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0379 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0018 0.0234 0.0234
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0234 0.0234
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.1337 0.1337
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0234 0.0234
Echinococcus granulosus protein kinase c iota type 0.0016 0.016 0.016
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.1337 0.1337
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0017 0.0196 0.0196
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.0234 0.0234
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0018 0.0234 0.0234
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.0234 0.0234
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0379 1 1
Brugia malayi protein kinase C II. 0.0017 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0234
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0234 0.0234
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0379 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0018 0.0234 0.0234
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0551 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0128 0.3188 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0128 0.3188 1
Entamoeba histolytica hypothetical protein 0.0038 0.0761 1
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.0234 0.0234
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.003 0.0551 0.0551
Brugia malayi nuclear receptor NHR-88 0.0018 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0234 0.0234
Onchocerca volvulus Prolyl endopeptidase homolog 0.003 0.0551 0.0325
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0098 0.2375 0.2375
Schistosoma mansoni RAR-like nuclear receptor 0.0018 0.0234 0.0234
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0234 0.0234
Plasmodium falciparum peptidase, putative 0.003 0.0551 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.0761 1
Brugia malayi steroid hormone receptor 0.0018 0.0234 0.0234
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0018 0.0234 0.0234
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.0234 0.0234
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0049 0.1053 0.1053
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0234
Mycobacterium tuberculosis Probable peptidase 0.003 0.0551 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.0234 0.0234
Brugia malayi nuclear hormone receptor 0.0018 0.0234 0.0234
Echinococcus granulosus Protein kinase C brain isozyme 0.0059 0.1337 0.1337
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.003 0.0551 0.5
Brugia malayi ecdysteroid receptor 0.0018 0.0234 0.0234
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.003 0.0551 0.0551
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0234 0.0234
Giardia lamblia Alanyl dipeptidyl peptidase 0.003 0.0551 0.5
Echinococcus multilocularis protein kinase c iota type 0.0016 0.016 0.016
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0128 0.3188 0.3188
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0379 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0234 0.0234
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0128 0.3188 0.3188
Schistosoma mansoni hypothetical protein 0.0038 0.0761 0.0761
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0234 0.0234
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0042 0.0878 0.0878
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0059 0.1337 0.1337
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0234
Schistosoma mansoni nuclear hormone receptor 0.0018 0.0234 0.0234
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.0234 0.0234
Entamoeba histolytica hypothetical protein 0.0038 0.0761 1
Brugia malayi prolyl oligopeptidase family protein 0.0128 0.3188 0.3188
Brugia malayi prolyl oligopeptidase family protein 0.003 0.0551 0.0551
Loa Loa (eye worm) hypothetical protein 0.003 0.0551 0.0551
Echinococcus granulosus acylamino acid releasing enzyme 0.003 0.0551 0.0551
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.003 0.0551 0.5
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.003 0.0551 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.0234 0.0234
Brugia malayi hypothetical protein 0.0098 0.2375 0.2375
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0196 0.0196
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0234 0.0234
Echinococcus granulosus prolyl endopeptidase 0.003 0.0551 0.0551
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0234 0.0234
Schistosoma mansoni retinoic acid receptor RXR 0.0119 0.2951 0.2951
Schistosoma mansoni coup transcription factor 0.0018 0.0234 0.0234
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0761 0.0761
Loa Loa (eye worm) hypothetical protein 0.0042 0.0878 0.0878
Loa Loa (eye worm) hypothetical protein 0.0018 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0234 0.0234
Brugia malayi Protein kinase c protein 2 0.005 0.1095 0.1095
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.003 0.0551 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.0234 0.0234
Entamoeba histolytica hypothetical protein 0.0038 0.0761 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.0234 0.0234
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0128 0.3188 1
Echinococcus granulosus protein kinase C gamma type 0.0053 0.1162 0.1162
Brugia malayi prolyl oligopeptidase family protein 0.003 0.0551 0.0551
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0234 0.0234
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0128 0.3188 1
Schistosoma mansoni atypical protein kinase C 0.0016 0.016 0.016
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.0234 0.0234
Echinococcus multilocularis protein kinase c epsilon type 0.0017 0.0196 0.0196
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0234 0.0234
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.003 0.0551 0.0551
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.0234 0.0234
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0018 0.0234 0.0234
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0234 0.0234
Brugia malayi hypothetical protein 0.0038 0.0761 0.0761
Echinococcus multilocularis prolyl endopeptidase 0.003 0.0551 0.0551
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.0234 0.0234

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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