Detailed information for compound 1063304

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.482 | Formula: C23H20N2O2S
  • H donors: 1 H acceptors: 1 LogP: 4.65 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)NC(=S)N1CCc2c1c(ccc2)OCc1ccccc1
  • InChi: 1S/C23H20N2O2S/c26-22(19-10-5-2-6-11-19)24-23(28)25-15-14-18-12-7-13-20(21(18)25)27-16-17-8-3-1-4-9-17/h1-13H,14-16H2,(H,24,26,28)
  • InChiKey: PVZKDTLFEVTZSS-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
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0577 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3018 0.3018
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0577 0.5
Echinococcus multilocularis dna polymerase eta 0.0021 0.0577 0.0577
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0577 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0577 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0577 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0577 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0577 1
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0577 0.5
Trypanosoma brucei unspecified product 0.0021 0.0577 1
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0577 1
Echinococcus granulosus dna polymerase kappa 0.0021 0.0577 0.0577
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0577 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0577 1
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0577 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0577 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0577 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0577 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3018 0.7046
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3018 0.3018
Schistosoma mansoni hypothetical protein 0.0181 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0577 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0577 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3018 0.3018
Echinococcus granulosus tar DNA binding protein 0.0062 0.3018 0.3018
Echinococcus granulosus jun protein 0.0086 0.4421 0.4421
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3018 0.3018
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0577 0.0577
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3018 0.6825
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0577 0.1305
Schistosoma mansoni DNA polymerase eta 0.0021 0.0577 0.0577
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0577 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0577 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0086 0.4421 0.4421
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3018 0.3018
Leishmania major DNA polymerase eta, putative 0.0021 0.0577 0.5
Echinococcus multilocularis jun protein 0.0086 0.4421 0.4421
Brugia malayi bZIP transcription factor family protein 0.0086 0.4421 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0577 0.0577
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0577 1
Schistosoma mansoni jun-related protein 0.007 0.3474 0.3474
Giardia lamblia DINP protein human, muc B family 0.0021 0.0577 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0577 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0577 0.1347
Brugia malayi RNA binding protein 0.0062 0.3018 0.6825
Echinococcus granulosus dna polymerase eta 0.0021 0.0577 0.0577
Onchocerca volvulus 0.0068 0.3336 1
Brugia malayi TAR-binding protein 0.0062 0.3018 0.6825
Loa Loa (eye worm) RNA binding protein 0.0062 0.3018 0.7046
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0577 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.4283 1
Echinococcus multilocularis geminin 0.0181 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0086 0.4421 0.4421
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3018 0.3018
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0577 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0577 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0577 0.0577
Brugia malayi hypothetical protein 0.0068 0.3336 0.7544
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0577 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0577 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0577 0.0577
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3018 0.7046
Loa Loa (eye worm) hypothetical protein 0.0021 0.0577 0.1347
Schistosoma mansoni hypothetical protein 0.0181 1 1
Leishmania major DNA polymerase kappa, putative 0.0021 0.0577 0.5
Schistosoma mansoni hypothetical protein 0.007 0.3474 0.3474
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0577 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0577 0.1305
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0577 0.0577

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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