Detailed information for compound 155845

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 252.329 | Formula: C13H16O3S
  • H donors: 1 H acceptors: 3 LogP: 2.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=C\[C@@]1(C)SC(=C(C1=O)C)O)/C=C/C(=O)C
  • InChi: 1S/C13H16O3S/c1-8(5-6-9(2)14)7-13(4)11(15)10(3)12(16)17-13/h5-7,16H,1-4H3/b6-5+,8-7+/t13-/m1/s1
  • InChiKey: VWDQTGQDNCLGNX-YGIFUYDNSA-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
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.3593 1
Brugia malayi TAR-binding protein 0.0133 0.5175 0.5175
Echinococcus granulosus tar DNA binding protein 0.0133 0.5175 0.5175
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.16 0.16
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0241 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0056 0.1763 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.3593 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0241 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.1763 0.1763
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0241 1 1
Brugia malayi N-terminal motif family protein 0.0193 0.7829 0.7829
Loa Loa (eye worm) hypothetical protein 0.0053 0.16 0.16
Schistosoma mansoni hypothetical protein 0.0036 0.086 0.086
Giardia lamblia Kinase, PLK 0.0097 0.3593 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.16 0.16
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0241 1 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0025 0.0382 0.0382
Schistosoma mansoni tar DNA-binding protein 0.0133 0.5175 0.5175
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0241 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0133 0.5175 0.5175
Loa Loa (eye worm) hypothetical protein 0.0193 0.7829 0.7829
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.3593 0.3593
Brugia malayi hypothetical protein 0.0056 0.1763 0.1763
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.3593 1
Loa Loa (eye worm) TAR-binding protein 0.0133 0.5175 0.5175
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.1763 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.3593 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.086 0.086
Brugia malayi RNA binding protein 0.0133 0.5175 0.5175
Schistosoma mansoni kinase 0.005 0.1462 0.1462
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0241 1 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0193 0.7829 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.3593 1
Brugia malayi hypothetical protein 0.0036 0.0876 0.0876
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0241 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0025 0.0382 0.0382
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.3593 0.3593
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.086 0.086
Schistosoma mansoni tar DNA-binding protein 0.0133 0.5175 0.5175
Schistosoma mansoni tar DNA-binding protein 0.0133 0.5175 0.5175
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.3593 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0133 0.5175 0.5175
Trypanosoma brucei polo-like protein kinase 0.0097 0.3593 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.1763 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.3593 0.3593
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.3593 1
Toxoplasma gondii LsmAD domain-containing protein 0.0056 0.1763 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.16 0.16
Schistosoma mansoni hypothetical protein 0.0025 0.0382 0.0382
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.3593 0.3593
Loa Loa (eye worm) RNA binding protein 0.0133 0.5175 0.5175
Echinococcus multilocularis tar DNA binding protein 0.0133 0.5175 0.5175
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.3593 0.3593
Schistosoma mansoni tar DNA-binding protein 0.0133 0.5175 0.5175
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.3593 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.3593 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0241 1 1
Schistosoma mansoni tar DNA-binding protein 0.0133 0.5175 0.5175
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.3593 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.3593 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 100 ug ml-1 Antibacterial activity against Pasteurella multocida ChEMBL. 11591516
MIC (functional) > 100 ug ml-1 Antibacterial activity against Staphylococcus aureus ChEMBL. 11591516

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

1 literature reference was collected for this gene.

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