Detailed information for compound 612834

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.434 | Formula: C20H18N2O3S
  • H donors: 0 H acceptors: 1 LogP: 4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCn1c(=NC(=O)c2ccc(c(c2)OC)OC)sc2c1ccc(c2)C
  • InChi: 1S/C20H18N2O3S/c1-5-10-22-15-8-6-13(2)11-18(15)26-20(22)21-19(23)14-7-9-16(24-3)17(12-14)25-4/h1,6-9,11-12H,10H2,2-4H3/b21-20-
  • InChiKey: DCHSAJDPIIREBF-MRCUWXFGSA-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
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.2469 0.3893
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2469 0.2421
Echinococcus granulosus dna polymerase kappa 0.0061 0.2082 0.2032
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Trichomonas vaginalis DNA polymerase eta, putative 0.0061 0.2082 1
Echinococcus granulosus dna polymerase eta 0.0115 0.6242 0.6218
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0061 0.2082 0.3335
Echinococcus granulosus tar DNA binding protein 0.0066 0.2469 0.2421
Leishmania major DNA polymerase eta, putative 0.0115 0.6242 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Trypanosoma brucei unspecified product 0.0042 0.0623 0.0997
Loa Loa (eye worm) hypothetical protein 0.0081 0.3662 0.5825
Trypanosoma brucei unspecified product 0.0061 0.2082 0.3335
Echinococcus multilocularis dna polymerase eta 0.0115 0.6242 0.6218
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.1498 0.1444
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.3662 0.5
Trypanosoma brucei unspecified product 0.0042 0.0623 0.0997
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.3662 1
Leishmania major DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Mycobacterium tuberculosis Conserved hypothetical protein 0.0061 0.2082 1
Schistosoma mansoni DNA polymerase eta 0.0115 0.6242 0.6218
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0061 0.2082 0.2032
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.2493 0.3932
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Echinococcus multilocularis geminin 0.0164 1 1
Schistosoma mansoni hypothetical protein 0.0066 0.2493 0.2445
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0061 0.2082 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0623 0.0997
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Schistosoma mansoni hypothetical protein 0.0164 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.2469 0.3893
Leishmania major DNA polymerase eta, putative 0.0073 0.2999 0.4805
Brugia malayi ImpB/MucB/SamB family protein 0.0061 0.2082 0.3267
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.1498 0.1444
Trypanosoma cruzi DNA polymerase eta, putative 0.0115 0.6242 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0061 0.2082 0.2032
Entamoeba histolytica deoxycytidyl transferase, putative 0.0061 0.2082 1
Brugia malayi RNA binding protein 0.0066 0.2469 0.3893
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2469 0.2421
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.3662 0.3622
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0061 0.2082 0.2032
Trypanosoma brucei DNA polymerase IV, putative 0.0061 0.2082 0.3335
Trypanosoma brucei DNA polymerase eta, putative 0.0115 0.6242 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.4859 0.7762
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.3662 0.5
Brugia malayi TAR-binding protein 0.0066 0.2469 0.3893
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.4859 0.7762
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2469 0.2421
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Giardia lamblia DINP protein human, muc B family 0.0061 0.2082 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.6242 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.3662 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0115 0.6242 1
Trypanosoma brucei DNA polymerase IV, putative 0.0061 0.2082 0.3335
Echinococcus multilocularis tar DNA binding protein 0.0066 0.2469 0.2421
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.3662 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.3662 0.5
Brugia malayi Probable ClpP-like protease 0.0081 0.3662 0.5825
Trypanosoma cruzi DNA polymerase eta, putative 0.0073 0.2999 0.4805
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0061 0.2082 0.3267
Loa Loa (eye worm) RNA binding protein 0.0066 0.2469 0.3893
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0061 0.2082 0.2032
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2469 0.2421
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 0.3662 0.3622
Schistosoma mansoni hypothetical protein 0.0164 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0063 0.0304
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0623 0.0997
Trichomonas vaginalis rotamase, putative 0.0035 0.0063 0.0304
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.3662 1
Trypanosoma brucei DNA polymerase IV, putative 0.0061 0.2082 0.3335
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0061 0.2082 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.4859 0.7762
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.3662 0.3622
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0073 0.2999 0.819
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.3662 0.5
Loa Loa (eye worm) TAR-binding protein 0.0066 0.2469 0.3893
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2469 0.2421
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.3662 1
Echinococcus multilocularis dna polymerase kappa 0.0061 0.2082 0.2032
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0623 0.0997
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.3662 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.2493 0.3932
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.2082 0.3335
Loa Loa (eye worm) hypothetical protein 0.0097 0.4859 0.7762
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.3662 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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