Detailed information for compound 1598654

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 380.588 | Formula: C19H24O2S3
  • H donors: 0 H acceptors: 0 LogP: 4.85 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CSCCCSSCc1ccc(cc1)OC
  • InChi: 1S/C19H24O2S3/c1-20-18-8-4-16(5-9-18)14-22-12-3-13-23-24-15-17-6-10-19(21-2)11-7-17/h4-11H,3,12-15H2,1-2H3
  • InChiKey: SANAHNPPJDHZKE-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 selinide water dikinase 0.0024 0.0153 0.0398
Toxoplasma gondii selenide, water dikinase 0.0024 0.0153 0.0651
Loa Loa (eye worm) hypothetical protein 0.005 0.0469 0.2707
Onchocerca volvulus 0.0057 0.0555 0.3242
Giardia lamblia Hypothetical protein 0.005 0.0469 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0367 0.4394 0.4307
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.0218 1
Echinococcus multilocularis neuropeptide receptor A26 0.0367 0.4394 0.4307
Entamoeba histolytica hypothetical protein 0.005 0.0469 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.0218 1
Plasmodium vivax selenophosphate synthetase, putative 0.0024 0.0153 1
Brugia malayi folate-like transporter 3 0.005 0.0469 0.2707
Loa Loa (eye worm) hypothetical protein 0.0119 0.1322 1
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.0322 0.3833 1
Echinococcus granulosus inositol monophosphatase 1 0.0029 0.0218 0.0066
Echinococcus multilocularis muscleblind protein 1 0.0119 0.1322 0.1187
Loa Loa (eye worm) hypothetical protein 0.005 0.0469 0.2707
Echinococcus multilocularis neuropeptide s receptor 0.0367 0.4394 0.4307
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0029 0.0218 0.5
Echinococcus granulosus Major facilitator superfamily general substrate transporter 0.0323 0.3852 0.3757
Echinococcus granulosus neuropeptide s receptor 0.0367 0.4394 0.4307
Plasmodium falciparum selenide water dikinase, putative 0.0024 0.0153 1
Chlamydia trachomatis methionyl tRNAformyltransferase 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0469 0.2707
Brugia malayi Inositol-1 0.0029 0.0218 0.0558
Schistosoma mansoni inositol monophosphatase 0.0029 0.0218 0.0567
Mycobacterium ulcerans thiamine monophosphate kinase 0.0014 0.0034 0.0089
Trichomonas vaginalis inositol monophosphatase, putative 0.0029 0.0218 0.5
Brugia malayi Muscleblind-like protein 0.0119 0.1322 1
Schistosoma mansoni hypothetical protein 0.0323 0.3847 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0469 0.2707
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0029 0.0218 0.0928
Loa Loa (eye worm) hypothetical protein 0.005 0.0469 0.2707
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.0322 0.3833 1
Echinococcus multilocularis muscleblind protein 0.0119 0.1322 0.1187
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.0071 0.0734 1
Treponema pallidum methionyl-tRNA formyltransferase (fmt) 0.0012 0 0.5
Mycobacterium tuberculosis Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt 0.0047 0.0436 0.5947
Loa Loa (eye worm) inositol-1 0.0029 0.0218 0.0558
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0026 0.018 0.2456
Echinococcus multilocularis folate receptor beta 0.082 1 1
Brugia malayi Reduced folate carrier family protein 0.005 0.0469 0.2707
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0029 0.0218 0.5
Wolbachia endosymbiont of Brugia malayi phosphoribosylformylglycinamidine synthase domain-containing protein 0.0024 0.0153 0.0399
Loa Loa (eye worm) hypothetical protein 0.005 0.0469 0.2707
Loa Loa (eye worm) hypothetical protein 0.005 0.0469 0.2707
Wolbachia endosymbiont of Brugia malayi phosphoribosylaminoimidazole synthetase 0.0071 0.0734 0.1914
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE) 0.0071 0.0734 0.1841
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0029 0.0218 0.0569
Trypanosoma cruzi selenophosphate synthetase, putative 0.0024 0.0153 0.7011
Onchocerca volvulus 0.0071 0.0734 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.0218 1
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.0322 0.3833 1
Trypanosoma brucei Selenophosphate synthetase 2 0.0024 0.0153 0.7011
Mycobacterium ulcerans phosphoribosylaminoimidazole synthetase 0.0071 0.0734 0.1914
Echinococcus multilocularis inositol monophosphatase 1 0.0029 0.0218 0.0066
Loa Loa (eye worm) hypothetical protein 0.0119 0.1322 1
Trypanosoma cruzi selenophosphate synthetase, putative 0.0024 0.0153 0.7011
Leishmania major selenophosphate synthetase, putative 0.0024 0.0153 0.7011
Mycobacterium tuberculosis Phosphoribosylformylglycinamidine synthase II PurL (FGAM synthase II) 0.0024 0.0153 0.2085
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.0218 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0026 0.018 0.0384
Echinococcus multilocularis Major facilitator superfamily, general substrate transporter 0.0323 0.3852 0.3757
Toxoplasma gondii hypothetical protein 0.0202 0.235 1
Mycobacterium leprae PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II PURL (FGAM SYNTHASE II) 0.0024 0.0153 0.0313
Loa Loa (eye worm) hypothetical protein 0.005 0.0469 0.2707
Loa Loa (eye worm) hypothetical protein 0.005 0.0469 0.2707
Mycobacterium ulcerans phosphoribosylformylglycinamidine synthase II 0.0024 0.0153 0.0399
Loa Loa (eye worm) hypothetical protein 0.005 0.0469 0.2707
Echinococcus granulosus muscleblind protein 0.0119 0.1322 0.1187
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0029 0.0218 0.0569
Schistosoma mansoni inositol monophosphatase 0.0029 0.0218 0.0567
Loa Loa (eye worm) reduced folate carrier family protein 0.005 0.0469 0.2707

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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