Detailed information for compound 1595358

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 292.31 | Formula: C13H12N2O4S
  • H donors: 2 H acceptors: 4 LogP: 2.87 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cnc(s1)NC(=O)c1ccccc1O
  • InChi: 1S/C13H12N2O4S/c1-2-19-12(18)10-7-14-13(20-10)15-11(17)8-5-3-4-6-9(8)16/h3-7,16H,2H2,1H3,(H,14,15,17)
  • InChiKey: LLEWNIIHOFKNSL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Brugia malayi Probable DNA topoisomerase II 0.0044 0.156 0.156
Trypanosoma brucei Heat shock protein 83, putative 0.0216 1 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0088 0.3744 1
Leishmania major heat shock protein 83-1 0.0216 1 1
Trypanosoma brucei heat shock protein, putative 0.0216 1 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0088 0.3744 0.3744
Plasmodium vivax heat shock protein 86, putative 0.0216 1 1
Trypanosoma cruzi heat shock protein, putative 0.0088 0.3744 0.2588
Echinococcus multilocularis heat shock protein 0.0216 1 1
Trichomonas vaginalis heat shock protein, putative 0.0172 0.7842 0.751
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0172 0.7842 1
Trichomonas vaginalis heat shock protein, putative 0.0172 0.7842 0.751
Leishmania major heat shock protein 83-1 0.0216 1 1
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0044 0.156 0.0264
Leishmania major heat shock protein, putative 0.0088 0.3744 0.2588
Toxoplasma gondii heat shock protein 75, putative 0.0088 0.3744 0.2588
Leishmania major heat shock protein 83-1 0.0216 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0216 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0216 1 1
Plasmodium vivax endoplasmin, putative 0.0216 1 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0044 0.156 0.156
Schistosoma mansoni endoplasmin 0.0216 1 1
Schistosoma mansoni endoplasmin 0.0216 1 1
Loa Loa (eye worm) endoplasmin 0.0216 1 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0044 0.156 0.156
Trypanosoma cruzi heat shock protein 90, putative 0.0216 1 1
Trichomonas vaginalis sensor histidine kinase, putative 0.0044 0.156 0.0264
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0044 0.156 0.0264
Trichomonas vaginalis DNA topoisomerase II, putative 0.0044 0.156 0.0264
Plasmodium falciparum endoplasmin, putative 0.0132 0.5903 0.5145
Trichomonas vaginalis heat shock protein, putative 0.0216 1 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0172 0.7842 1
Schistosoma mansoni heat shock protein 0.0216 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0172 0.7842 0.7443
Loa Loa (eye worm) heat shock protein 90 0.0216 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0042 0.1467 0.1467
Leishmania major heat shock protein 83-1 0.0216 1 1
Echinococcus multilocularis endoplasmin 0.0172 0.7842 0.7842
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0044 0.156 0.0264
Echinococcus granulosus endoplasmin 0.0172 0.7842 0.7842
Chlamydia trachomatis DNA gyrase subunit B 0.0044 0.156 0.5
Brugia malayi Hsp90 protein 0.0088 0.3744 0.3744
Leishmania major heat shock protein 83-1 0.0216 1 1
Leishmania major heat shock protein 83-1 0.0216 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.1657 0.1657
Toxoplasma gondii heat shock protein HSP90 0.0216 1 1
Trypanosoma brucei heat shock protein, putative 0.0216 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.156 0.156
Loa Loa (eye worm) TOPoisomerase family member 0.0044 0.156 0.156
Entamoeba histolytica heat shock protein 90, putative 0.0216 1 1
Leishmania major heat shock protein 83-1 0.0216 1 1
Trypanosoma brucei heat shock protein 84, putative 0.0088 0.3744 0.2588
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0088 0.3744 0.2588
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0044 0.156 0.156
Entamoeba histolytica heat shock protein 90, putative 0.0216 1 1
Brugia malayi heat shock protein 90 0.0216 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0216 1 1
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0088 0.3744 0.3744
Leishmania major heat shock protein 83-1 0.0216 1 1
Leishmania major heat shock protein 83-1 0.0216 1 1
Trypanosoma brucei heat shock protein, putative 0.0216 1 1
Plasmodium falciparum heat shock protein 90, putative 0.0088 0.3744 0.2588
Trichomonas vaginalis endoplasmin, putative 0.0132 0.5903 0.5274
Leishmania major heat shock protein 83-1 0.0216 1 1
Trypanosoma brucei heat shock protein, putative 0.0216 1 1
Trypanosoma brucei heat shock protein, putative 0.0216 1 1
Trypanosoma brucei heat shock protein, putative 0.0216 1 1
Loa Loa (eye worm) heat shock protein 75 0.0088 0.3744 0.3744
Plasmodium vivax heat shock protein 90, putative 0.0088 0.3744 0.2588
Trypanosoma cruzi Heat shock protein 83, putative 0.0216 1 1
Trichomonas vaginalis heat shock protein, putative 0.0172 0.7842 0.751
Leishmania major heat shock protein 83-1 0.0216 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.0044 0.156 0.156
Echinococcus granulosus heat shock protein 0.0216 1 1
Leishmania major heat shock protein 83-1 0.0216 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0042 0.1467 0.1467
Echinococcus multilocularis heat shock protein 90 0.0172 0.7842 0.7842
Echinococcus granulosus heat shock protein 90 0.0216 1 1
Chlamydia trachomatis DNA gyrase subunit B 0.0044 0.156 0.5
Leishmania major heat shock protein 83-1 0.0216 1 1
Schistosoma mansoni DNA topoisomerase II 0.0044 0.156 0.156
Echinococcus multilocularis heat shock protein 90 0.0216 1 1
Trypanosoma brucei heat shock protein, putative 0.0216 1 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0172 0.7842 1
Plasmodium falciparum heat shock protein 90 0.0216 1 1
Giardia lamblia Grp94/Hsp90 0.0172 0.7842 0.7443
Trichomonas vaginalis receptor histidine kinase, putative 0.0044 0.156 0.0264
Leishmania major heat shock protein 83-1 0.0216 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.156 0.156
Trypanosoma cruzi heat shock protein 85, putative 0.0172 0.7842 0.7443
Giardia lamblia Heat shock protein HSP 90-alpha 0.0172 0.7842 0.7443
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0172 0.7842 0.7842
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0172 0.7842 0.7443
Trypanosoma cruzi heat shock protein 85, putative 0.0216 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.1467 0.1467
Plasmodium vivax heat shock protein, putative 0.0088 0.3744 0.2588
Toxoplasma gondii heat shock protein 90, putative 0.0216 1 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0044 0.156 0.0264
Leishmania major heat shock protein 83-1 0.0216 1 1
Echinococcus granulosus heat shock protein 90 0.0172 0.7842 0.7842
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0044 0.156 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.1657 0.1657
Trypanosoma cruzi heat shock protein 85, putative 0.0216 1 1
Plasmodium falciparum heat shock protein 90, putative 0.0088 0.3744 0.2588
Schistosoma mansoni heat shock protein 0.0088 0.3744 0.3744
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0044 0.156 0.156
Loa Loa (eye worm) hypothetical protein 0.0036 0.1194 0.1194
Loa Loa (eye worm) hypothetical protein 0.0044 0.156 0.156
Trypanosoma brucei heat shock protein, putative 0.0216 1 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0044 0.156 0.156
Schistosoma mansoni heat shock protein 0.0216 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0042 0.1467 0.1467
Leishmania major heat shock protein 83-1 0.0216 1 1
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0044 0.156 0.156
Mycobacterium ulcerans heat shock protein 90 0.0172 0.7842 1
Trichomonas vaginalis heat shock protein, putative 0.0088 0.3744 0.2784
Treponema pallidum heat shock protein 90 0.0172 0.7842 1
Trypanosoma cruzi heat shock protein 90, putative 0.0127 0.5657 0.4855
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0044 0.156 0.156
Leishmania major heat shock protein 83-1 0.0216 1 1
Trichomonas vaginalis heat shock protein, putative 0.0132 0.5903 0.5274
Toxoplasma gondii Hsp90 domain-containing protein 0.0088 0.3744 0.2588
Trypanosoma cruzi heat shock protein 85, putative 0.0216 1 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0044 0.156 0.0264
Brugia malayi kinase, mitochondrial precursor 0.0044 0.156 0.156
Trichomonas vaginalis receptor histidine kinase, putative 0.0044 0.156 0.0264

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.