Detailed information for compound 771963

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.439 | Formula: C19H21NO4S
  • H donors: 1 H acceptors: 2 LogP: 3.02 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOC(=C1C(=NC(=C(C1c1cccs1)C(=O)OCC=C)C)C)O
  • InChi: 1S/C19H21NO4S/c1-5-9-23-18(21)15-12(3)20-13(4)16(19(22)24-10-6-2)17(15)14-8-7-11-25-14/h5-8,11,17,21H,1-2,9-10H2,3-4H3
  • InChiKey: LIRUUWXDYUGWSN-UHFFFAOYSA-N  

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
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.2204 0.1658
Echinococcus granulosus chromobox protein 1 0.0084 1 1
Trichomonas vaginalis chromobox protein, putative 0.0084 1 1
Echinococcus multilocularis dna polymerase eta 0.0054 0.538 0.538
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.2204 0.1658
Schistosoma mansoni chromobox protein 0.0084 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.538 0.538
Leishmania major DNA polymerase eta, putative 0.0038 0.2911 0.4775
Loa Loa (eye worm) hypothetical protein 0.006 0.6323 0.6323
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0654 0.5
Trichomonas vaginalis chromobox protein, putative 0.0051 0.487 0.4511
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0654 0.0654
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0654 0.0654
Loa Loa (eye worm) hypothetical protein 0.0047 0.4319 0.4319
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0654 0.0654
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0654 0.0654
Trichomonas vaginalis chromobox protein, putative 0.0051 0.487 0.4511
Echinococcus granulosus dna polymerase eta 0.0054 0.538 0.538
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.4319 0.7399
Loa Loa (eye worm) hypothetical protein 0.0041 0.3396 0.3396
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0654 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.538 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.2754 0.2754
Schistosoma mansoni chromobox protein 0.0084 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.2911 0.4775
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.6323 0.6323
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0654 0.0654
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.3396 0.3396
Schistosoma mansoni DNA polymerase eta 0.0054 0.538 0.538
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0654 0.0654
Leishmania major DNA polymerase eta, putative 0.0054 0.538 1
Schistosoma mansoni hypothetical protein 0.0041 0.3396 0.3396
Echinococcus granulosus dna polymerase kappa 0.0023 0.0654 0.0654
Echinococcus multilocularis chromobox protein 1 0.0084 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.2911 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0.0654 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.6323 0.6323
Echinococcus granulosus chromobox protein 1 0.0084 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0654 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0084 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0654 0.0654
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.538 1
Trichomonas vaginalis chromobox protein, putative 0.0084 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0654 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.4319 0.3922
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.6323 0.6323
Brugia malayi chromobox protein homolog 3 0.0047 0.4319 0.4319
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.538 0.538
Echinococcus multilocularis chromobox protein 1 0.0084 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0654 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.4319 0.3922
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.487 1

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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