Detailed information for compound 847848

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 480.536 | Formula: C24H24N4O5S
  • H donors: 3 H acceptors: 5 LogP: 2.7 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OCC(=O)N)C1CC(=O)Nc2c1c(O)nc(n2)SCc1cccc(c1)C
  • InChi: 1S/C24H24N4O5S/c1-13-4-3-5-14(8-13)12-34-24-27-22-21(23(31)28-24)16(10-20(30)26-22)15-6-7-17(18(9-15)32-2)33-11-19(25)29/h3-9,16H,10-12H2,1-2H3,(H2,25,29)(H2,26,27,28,30,31)
  • InChiKey: MQOIZCZLNAVOIE-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
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0027 0.0621 0.0621
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0027 0.0621 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0938 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0861 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0027 0.0621 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0027 0.0621 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0027 0.0621 1
Brugia malayi cDNA sequence BC016226 0.0027 0.0621 0.6623
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0107 0.1145
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0027 0.0621 1
Schistosoma mansoni fad oxidoreductase 0.0027 0.0621 0.0621
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0027 0.0621 0.036
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0027 0.0621 1
Loa Loa (eye worm) CYP4Cod1 0.0016 0.0271 0.0271
Onchocerca volvulus Putative fad oxidoreductase 0.0027 0.0621 0.5
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0027 0.0621 0.0621
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0302 0.9147 1
Chlamydia trachomatis D-amino acid dehydrogenase 0.0027 0.0621 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.0938 1
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0027 0.0621 0.036
Schistosoma mansoni d-amino acid oxidase 0.033 1 1
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0027 0.0621 0.5
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0027 0.0621 0.5
Toxoplasma gondii hypothetical protein 0.0027 0.0621 0.5
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0027 0.0621 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0784 0.0784
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0107 0.1145
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0027 0.0621 1
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0027 0.0621 0.036
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0107 0.0107
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0107 0.1145
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0027 0.0621 0.6623
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0107 0.1145
Loa Loa (eye worm) hypothetical protein 0.0027 0.0621 0.0621
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0938 1
Mycobacterium ulcerans D-amino acid oxidase Aao 0.033 1 1
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0027 0.0621 0.5
Schistosoma mansoni NAD dehydrogenase 0.0027 0.0621 0.0621
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0027 0.0621 0.6623
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0027 0.0621 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0027 0.0621 0.5
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0027 0.0621 0.6623
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0027 0.0621 0.5
Brugia malayi Cytochrome P450 family protein 0.0016 0.0271 0.2887
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0938 0.0938
Loa Loa (eye worm) hypothetical protein 0.0009 0.0046 0.0046
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0027 0.0621 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0271 0.0271
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0027 0.0621 1
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0027 0.0621 0.6623
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.1046 0.1046
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.1046 0.1046
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0027 0.0621 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0621 0.0621
Loa Loa (eye worm) hypothetical protein 0.0027 0.0621 0.0621
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0861 1
Leishmania major hypothetical protein, conserved 0.0027 0.0621 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.033 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0107 0.0107
Brugia malayi RE18450p 0.0027 0.0621 0.6623
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0027 0.0621 1
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0107 0.1145
Brugia malayi Cytochrome P450 family protein 0.0016 0.0271 0.2887
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0027 0.0621 1
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0027 0.0621 1
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0027 0.0621 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0107 0.0107
Leishmania major hypothetical protein, conserved 0.0027 0.0621 1
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0027 0.0621 0.036
Schistosoma mansoni fad oxidoreductase 0.0027 0.0621 0.0621
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0271 0.0271
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0027 0.0621 0.0621
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0027 0.0621 0.6623
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0027 0.0621 0.6623

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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