Detailed information for compound 665815

Basic information

Technical information
  • TDR Targets ID: 665815
  • Name: EU-0045666
  • MW: 416.534 | Formula: C22H28N2O4S
  • H donors: 1 H acceptors: 3 LogP: 4.12 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)C)CC(=O)NC1CCCCC1
  • InChi: 1S/C22H28N2O4S/c1-17-8-10-19(11-9-17)24(16-22(25)23-18-6-4-3-5-7-18)29(26,27)21-14-12-20(28-2)13-15-21/h8-15,18H,3-7,16H2,1-2H3,(H,23,25)
  • InChiKey: GZKVQASXRNYXKJ-UHFFFAOYSA-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
Leishmania major trypanothione reductase 0.0086 0.2804 0.322
Echinococcus granulosus thioredoxin glutathione reductase 0.0087 0.2823 0.742
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.003 0.0662 0.0265
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0633 0.1664
Echinococcus granulosus beta-adrenergic receptor kinase 0.0013 0.0011 0.003
Leishmania major hypothetical protein, conserved 0.0216 0.772 1
Trichomonas vaginalis glutathione reductase, putative 0.003 0.0662 0.0765
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0113 0.3805 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.003 0.0662 0.1739
Leishmania major dihydrolipoamide dehydrogenase, putative 0.003 0.0662 0.0265
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0113 0.3805 0.5046
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0197 0.7004 0.8868
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0662 0.0265
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0662 0.0265
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.003 0.0662 0.1739
Mycobacterium tuberculosis Probable reductase 0.0197 0.7004 0.8868
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0125 0.428 0.5674
Mycobacterium tuberculosis Probable dehydrogenase 0.0197 0.7004 0.8868
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0022 0.036 0.0478
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0662 0.0265
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.003 0.0662 1
Entamoeba histolytica hypothetical protein 0.0013 0 0.5
Brugia malayi Thioredoxin reductase 0.0086 0.2804 0.3718
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0113 0.3805 1
Trypanosoma cruzi hypothetical protein, conserved 0.0216 0.772 1
Echinococcus granulosus citrate lyase subunit beta protein 0.0025 0.0469 0.1233
Treponema pallidum NADH oxidase 0.003 0.0662 0.5
Echinococcus multilocularis citrate lyase subunit beta protein 0.0025 0.0469 0.1233
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0025 0.0469 0.0543
Onchocerca volvulus 0.0241 0.8649 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0219 0.7838 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0113 0.3805 0.5046
Trichomonas vaginalis mercuric reductase, putative 0.003 0.0662 0.0765
Loa Loa (eye worm) hypothetical protein 0.003 0.0676 0.0896
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0219 0.7838 1
Loa Loa (eye worm) thioredoxin reductase 0.0086 0.2804 0.3718
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0676 0.0676
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0676 0.0676
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0676 0.0676
Trichomonas vaginalis set domain proteins, putative 0.0241 0.8649 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.003 0.0662 0.0261
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0676 0.0676
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.003 0.0662 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.003 0.0662 1
Trypanosoma brucei hypothetical protein, conserved 0.0216 0.772 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.7542 1
Trypanosoma cruzi trypanothione reductase, putative 0.0086 0.2804 0.322
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0676 0.1775
Echinococcus multilocularis beta adrenergic receptor kinase 0.0013 0.0011 0.003
Schistosoma mansoni serine/threonine protein kinase 0.0125 0.428 0.428
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0662 0.0265
Plasmodium falciparum thioredoxin reductase 0.0086 0.2804 1
Brugia malayi glutathione reductase 0.0086 0.2804 0.3718
Leishmania major acetoin dehydrogenase e3 component-like protein 0.003 0.0662 0.0265
Plasmodium falciparum glutathione reductase 0.0086 0.2804 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.003 0.0662 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.003 0.0662 0.5
Toxoplasma gondii thioredoxin reductase 0.0086 0.2804 1
Plasmodium vivax SET domain protein, putative 0.003 0.0676 0.0064
Brugia malayi Pre-SET motif family protein 0.0211 0.7542 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0662 0.0265
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0662 0.0265
Plasmodium vivax thioredoxin reductase, putative 0.0086 0.2804 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0676 0.1775
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0197 0.7004 0.8868
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0011 0.0011
Trypanosoma cruzi hypothetical protein, conserved 0.0216 0.772 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.003 0.0662 0.0662
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0022 0.036 0.0478
Entamoeba histolytica hypothetical protein 0.0013 0 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.003 0.0662 1
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0011 0.0011
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0013 0.0011 0.0015
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0197 0.7004 0.8868
Trypanosoma cruzi trypanothione reductase, putative 0.003 0.0662 0.0265
Leishmania major dihydrolipoamide dehydrogenase, putative 0.003 0.0662 0.0265
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0086 0.2804 0.3168
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0219 0.7838 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.003 0.0662 0.0265
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0125 0.428 0.5674
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.003 0.0662 0.0265
Trypanosoma brucei trypanothione reductase 0.0086 0.2804 0.3035
Echinococcus multilocularis thioredoxin glutathione reductase 0.0087 0.2823 0.742
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.003 0.0662 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0676 0.1775
Loa Loa (eye worm) glutathione reductase 0.0086 0.2804 0.3718
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.003 0.0662 0.0877
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0113 0.3805 0.5046
Entamoeba histolytica hypothetical protein 0.0013 0 0.5
Brugia malayi Pre-SET motif family protein 0.003 0.0676 0.0896
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0219 0.7838 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0197 0.7004 0.8868
Plasmodium vivax glutathione reductase, putative 0.0086 0.2804 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0676 0.0064

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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