Detailed information for compound 613086

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.448 | Formula: C20H20N2O5S
  • H donors: 0 H acceptors: 2 LogP: 3.81 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cn1c(=NC(=O)c2cc(OC)cc(c2)OC)sc2c1ccc(c2)C
  • InChi: 1S/C20H20N2O5S/c1-12-5-6-16-17(7-12)28-20(22(16)11-18(23)27-4)21-19(24)13-8-14(25-2)10-15(9-13)26-3/h5-10H,11H2,1-4H3/b21-20-
  • InChiKey: PYGOABJZUZRWSQ-MRCUWXFGSA-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 IV, putative 0.002 0.0828 0.2504
Loa Loa (eye worm) hypothetical protein 0.002 0.0828 0.1832
Echinococcus multilocularis dna polymerase eta 0.002 0.0828 0.1832
Brugia malayi RNA binding protein 0.0062 0.452 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0098 0.7728 1
Plasmodium falciparum glutathione reductase 0.0039 0.2497 1
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.2497 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0828 0.2504
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0828 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0828 0.2504
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0088 0.6861 0.8837
Loa Loa (eye worm) glutathione reductase 0.0039 0.2497 0.5524
Toxoplasma gondii thioredoxin reductase 0.0039 0.2497 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0828 0.2504
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0098 0.7728 1
Brugia malayi TAR-binding protein 0.0062 0.452 1
Treponema pallidum NADH oxidase 0.0013 0.027 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.027 0.0598
Plasmodium falciparum thioredoxin reductase 0.0039 0.2497 1
Echinococcus multilocularis dna polymerase kappa 0.002 0.0828 0.1832
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.027 0.0598
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0288 0.0081
Mycobacterium tuberculosis Probable reductase 0.0088 0.6861 0.8837
Brugia malayi Thioredoxin reductase 0.0039 0.2497 0.5524
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.027 0.5
Schistosoma mansoni DNA polymerase eta 0.002 0.0828 0.0828
Leishmania major DNA polymerase kappa, putative 0.002 0.0828 0.2504
Echinococcus granulosus dna polymerase eta 0.002 0.0828 0.1832
Onchocerca volvulus 0.001 0 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0828 0.2504
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0828 0.2504
Trypanosoma brucei trypanothione reductase 0.0039 0.2497 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0828 0.0828
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0828 0.0748
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.2497 0.5524
Trypanosoma brucei unspecified product 0.0014 0.0288 0.0081
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0088 0.6861 0.8837
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0828 0.1832
Loa Loa (eye worm) TAR-binding protein 0.0062 0.452 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.452 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0828 0.2504
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.2497 0.2985
Trypanosoma brucei unspecified product 0.0014 0.0288 0.0081
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0828 0.2504
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.027 0.027
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.2497 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0288 0.0081
Echinococcus multilocularis tar DNA binding protein 0.0062 0.452 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.027 0.0598
Schistosoma mansoni tar DNA-binding protein 0.0062 0.452 0.452
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0828 0.2504
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0828 0.2504
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0828 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0088 0.6861 0.8837
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.027 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0828 0.2504
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0828 0.2504
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0828 0.2504
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.2542 0.5624
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0098 0.7728 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.452 0.452
Schistosoma mansoni tar DNA-binding protein 0.0062 0.452 0.452
Schistosoma mansoni tar DNA-binding protein 0.0062 0.452 0.452
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0828 0.2504
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0828 0.1832
Loa Loa (eye worm) RNA binding protein 0.0062 0.452 1
Trypanosoma brucei unspecified product 0.002 0.0828 0.2504
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0828 0.1832
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0088 0.6861 0.8837
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.027 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0828 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0828 0.2504
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0828 0.0748
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.452 1
Plasmodium vivax glutathione reductase, putative 0.0039 0.2497 1
Brugia malayi glutathione reductase 0.0039 0.2497 0.5524
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.2542 0.5624
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0828 0.2504
Giardia lamblia DINP protein human, muc B family 0.002 0.0828 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0828 0.0828
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0288 0.0081
Leishmania major trypanothione reductase 0.0039 0.2497 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0828 0.1832
Schistosoma mansoni tar DNA-binding protein 0.0062 0.452 0.452
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0098 0.7728 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0088 0.6861 0.8837
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0828 1
Leishmania major DNA polymerase eta, putative 0.002 0.0828 0.2504
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0828 0.2504
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0828 0.1832
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0828 0.2504
Echinococcus granulosus dna polymerase kappa 0.002 0.0828 0.1832
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0828 0.2504
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0828 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.452 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0828 0.2504

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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