Detailed information for compound 921864

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 572.279 | Formula: C21H13BrCl2N2O4S2
  • H donors: 1 H acceptors: 4 LogP: 5.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CCN1C(=S)S/C(=C\2/C(=O)c3c(N2Cc2c(Cl)cccc2Cl)ccc(c3)Br)/C1=O
  • InChi: 1S/C21H13BrCl2N2O4S2/c22-10-4-5-15-11(8-10)18(29)17(26(15)9-12-13(23)2-1-3-14(12)24)19-20(30)25(21(31)32-19)7-6-16(27)28/h1-5,8H,6-7,9H2,(H,27,28)/b19-17-
  • InChiKey: OAAXGKJGVYYYHB-ZPHPHTNESA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Poly(ADP-ribose) glycohydrolase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07759 poly(ADP-ribose) glycohydrolase [EC3.2.1.143], putative Get druggable targets OG5_128766 All targets in OG5_128766
Trypanosoma brucei poly(ADP-ribose) glycohydrolase, putative Get druggable targets OG5_128766 All targets in OG5_128766
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128766 All targets in OG5_128766
Echinococcus multilocularis poly(ADP ribose) glycohydrolase Get druggable targets OG5_128766 All targets in OG5_128766
Trypanosoma cruzi poly(ADP-ribose) glycohydrolase, putative Get druggable targets OG5_128766 All targets in OG5_128766
Cryptosporidium parvum shares a domain with poly(ADP) ribose glycohydrolases, some protein kinase A anchoring proteins and baculovirus HzNV Orf103, pos Get druggable targets OG5_128766 All targets in OG5_128766
Brugia malayi Poly Get druggable targets OG5_128766 All targets in OG5_128766
Schistosoma mansoni poly(ADP-ribose) glycohydrolase Get druggable targets OG5_128766 All targets in OG5_128766
Echinococcus granulosus polyADP ribose glycohydrolase Get druggable targets OG5_128766 All targets in OG5_128766
Entamoeba histolytica poly(ADP-ribose) glycohydrolase, putative Get druggable targets OG5_128766 All targets in OG5_128766
Cryptosporidium hominis poly (ADP-ribose) glycohydrolase Get druggable targets OG5_128766 All targets in OG5_128766
Loa Loa (eye worm) Poly(ADP-ribose) glycohydrolase Get druggable targets OG5_128766 All targets in OG5_128766
Trypanosoma cruzi poly(ADP-ribose) glycohydrolase, putative Get druggable targets OG5_128766 All targets in OG5_128766
Trypanosoma congolense poly(ADP-ribose) glycohydrolase, putative Get druggable targets OG5_128766 All targets in OG5_128766
Neospora caninum hypothetical protein Get druggable targets OG5_128766 All targets in OG5_128766
Trypanosoma brucei gambiense poly(ADP-ribose) glycohydrolase, putative Get druggable targets OG5_128766 All targets in OG5_128766
Schistosoma japonicum ko:K02912 large subunit ribosomal protein L32e, putative Get druggable targets OG5_128766 All targets in OG5_128766
Toxoplasma gondii poly(ADP-ribose) glycohydrolase Get druggable targets OG5_128766 All targets in OG5_128766

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
Entamoeba histolytica poly(ADP-ribose) glycohydrolase, putative 0.0188 1 1
Echinococcus multilocularis poly(ADP ribose) glycohydrolase 0.0188 1 1
Toxoplasma gondii poly(ADP-ribose) glycohydrolase 0.0188 1 1
Entamoeba histolytica hypothetical protein 0.0188 1 1
Schistosoma mansoni poly(ADP-ribose) glycohydrolase 0.0188 1 1
Echinococcus granulosus polyADP ribose glycohydrolase 0.0188 1 1
Loa Loa (eye worm) matrixin family protein 0.0084 0.0628 0.0628
Onchocerca volvulus Matrilysin homolog 0.0077 0 0.5
Trypanosoma cruzi poly(ADP-ribose) glycohydrolase, putative 0.0188 1 0.5
Trypanosoma brucei poly(ADP-ribose) glycohydrolase, putative 0.0188 1 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0077 0 0.5
Trypanosoma cruzi poly(ADP-ribose) glycohydrolase, putative 0.0188 1 0.5
Loa Loa (eye worm) Poly(ADP-ribose) glycohydrolase 0.0188 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.9 uM Inhibition of rat testis GST-tagged PARG catalytic activity after 30 mins using [32P]poly(ADP-ribose) by radioassay ChEMBL. 25042255

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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