Detailed information for compound 622108

Basic information

Technical information
  • TDR Targets ID: 622108
  • Name: 3-chloro-N-[2-(2-methylphenyl)-5,5-dioxo-4,6- dihydrothieno[3,4-d]pyrazol-3-yl]benzamide
  • MW: 401.867 | Formula: C19H16ClN3O3S
  • H donors: 1 H acceptors: 4 LogP: 2.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1c1ccccc1C
  • InChi: 1S/C19H16ClN3O3S/c1-12-5-2-3-8-17(12)23-18(15-10-27(25,26)11-16(15)22-23)21-19(24)13-6-4-7-14(20)9-13/h2-9H,10-11H2,1H3,(H,21,24)
  • InChiKey: JXAUPADSCSPRHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-chloro-N-[5,5-diketo-2-(2-methylphenyl)-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]benzamide
  • Oprea1_282912

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 tar DNA-binding protein 0.013 0.1048 0.1048
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0188 0.5
Loa Loa (eye worm) TAR-binding protein 0.013 0.1048 0.1048
Loa Loa (eye worm) glutaminase 0.0274 0.2964 0.2964
Loa Loa (eye worm) RNA binding protein 0.013 0.1048 0.1048
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0188 0.0188
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0188 0.5
Brugia malayi glutaminase DH11.1 0.0274 0.2964 0.2897
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0188 0.0095
Brugia malayi RNA recognition motif domain containing protein 0.013 0.1048 0.0964
Onchocerca volvulus 0.0051 0 0.5
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0188 0.0245
Loa Loa (eye worm) glutaminase 2 0.0274 0.2964 0.2964
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0188 0.5
Echinococcus multilocularis tar DNA binding protein 0.013 0.1048 0.2482
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0094 0.0094
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0301 0.3321 0.8391
Schistosoma mansoni tar DNA-binding protein 0.013 0.1048 0.1048
Mycobacterium ulcerans glutaminase 0.0274 0.2964 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0094 0.0094
Brugia malayi RNA binding protein 0.013 0.1048 0.0964
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0188 0.5
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0804 1 1
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0094 0.0094
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0094 0.0094
Echinococcus granulosus tumor protein p63 0.0348 0.394 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0188 0.0188
Schistosoma mansoni tar DNA-binding protein 0.013 0.1048 0.1048
Schistosoma mansoni tar DNA-binding protein 0.013 0.1048 0.1048
Brugia malayi TAR-binding protein 0.013 0.1048 0.0964
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0188 0.0245
Trichomonas vaginalis glutaminase, putative 0.0274 0.2964 0.5
Loa Loa (eye worm) subtilase 0.0804 1 1
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0301 0.3321 0.8391
Echinococcus multilocularis tumor protein p63 0.0348 0.394 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.1048 0.1048
Schistosoma mansoni glutaminase 0.0274 0.2964 0.2964
Echinococcus granulosus tar DNA binding protein 0.013 0.1048 0.2482
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.1048 0.1048
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0188 0.5

Activities

No activities found for this compound.

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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