Detailed information for compound 1047836

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 183.656 | Formula: C5H10ClNO2S
  • H donors: 2 H acceptors: 2 LogP: -1.17 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H]1CCS[C@H]1C(=O)O.Cl
  • InChi: 1S/C5H9NO2S.ClH/c6-3-1-2-9-4(3)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4+;/m0./s1
  • InChiKey: LMAFOTLCLDXOCH-RFKZQXLXSA-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
Loa Loa (eye worm) hypothetical protein 0.0029 0.0003 0.0003
Echinococcus multilocularis Polycystic kidney disease protein 0.0039 0.0014 0.0097
Giardia lamblia Alpha-tubulin 0.0038 0.0013 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0032 0.0032
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Brugia malayi Cytochrome P450 family protein 0.0056 0.0032 0.0032
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0029 0.0003 0.0003
Plasmodium falciparum LCCL domain-containing protein 0.0039 0.0014 1
Schistosoma mansoni rab6-interacting 0.0039 0.0014 0.0097
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Loa Loa (eye worm) alpha-tubulin 0.0038 0.0013 0.0013
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.0014 0.0097
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0172 0.0162 1
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Loa Loa (eye worm) hypothetical protein 0.0038 0.0013 0.0013
Trichomonas vaginalis tubulin beta chain, putative 0.0038 0.0013 1
Schistosoma mansoni lipoxygenase 0.0172 0.0162 1
Trypanosoma brucei alpha tubulin 0.0038 0.0013 0.0033
Brugia malayi Doublecortin family protein 0.0039 0.0014 0.0014
Plasmodium vivax multidomain scavenger receptor, putative 0.0039 0.0014 1
Toxoplasma gondii alpha-tubulin I, putative 0.0038 0.0013 0.5
Brugia malayi Tubulin alpha chain 0.0038 0.0013 0.0013
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.9055 1 0.5
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0029 0.0003 0.2326
Giardia lamblia Alpha-tubulin 0.0038 0.0013 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0038 0.0013 1
Trichomonas vaginalis tubulin beta chain, putative 0.0038 0.0013 1
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Trypanosoma brucei alpha tubulin 0.0038 0.0013 0.0033
Loa Loa (eye worm) hypothetical protein 0.0039 0.0014 0.0014
Schistosoma mansoni loxhd1 0.0039 0.0014 0.0097
Loa Loa (eye worm) hypothetical protein 0.0039 0.0014 0.0014
Echinococcus multilocularis RUN 0.0039 0.0014 0.0097
Toxoplasma gondii alpha tubulin TUBA1 0.0038 0.0013 0.5
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.0014 0.0097
Loa Loa (eye worm) tubulin alpha 2 0.0029 0.0003 0.0003
Trypanosoma cruzi alpha tubulin, putative 0.0038 0.0013 0.0033
Trichomonas vaginalis tubulin epsilon chain, putative 0.0038 0.0013 1
Loa Loa (eye worm) doublecortin family protein 0.0039 0.0014 0.0014
Schistosoma mansoni rab6-interacting 0.0039 0.0014 0.0097
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0 0.5
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Onchocerca volvulus 0.0039 0.0014 0.5
Trypanosoma brucei alpha tubulin 0.0038 0.0013 0.0033
Schistosoma mansoni polycystin 1-related 0.0039 0.0014 0.0097
Trichomonas vaginalis tubulin beta chain, putative 0.0038 0.0013 1
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Loa Loa (eye worm) tubulin alpha-3 chain 0.0026 0.0000068336 0.0000068336
Entamoeba histolytica tubulin alpha-1 chain 0.0038 0.0013 0.5
Loa Loa (eye worm) hypothetical protein 0.9055 1 1
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Loa Loa (eye worm) alpha-tubulin 0.0038 0.0013 0.0013
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0038 0.0013 1
Brugia malayi alpha-tubulin 0.0038 0.0013 0.0013
Brugia malayi Tubulin alpha-2 chain 0.0038 0.0013 0.0013
Leishmania major malonyl-coa decarboxylase-like protein 0.3558 0.3911 1
Trypanosoma brucei alpha tubulin 0.0038 0.0013 0.0033
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0172 0.0162 1
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Loa Loa (eye worm) tubulin alpha 2 0.0029 0.0003 0.0003
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.3558 0.3911 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.0014 0.0097
Echinococcus granulosus Polycystic kidney disease protein 0.0039 0.0014 0.0097
Loa Loa (eye worm) tubulin alpha-2 chain 0.0038 0.0013 0.0013
Entamoeba histolytica tubulin alpha chain, putative 0.0038 0.0013 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0038 0.0013 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0038 0.0013 1
Trichomonas vaginalis tubulin beta chain, putative 0.0038 0.0013 1
Schistosoma mansoni hypothetical protein 0.0039 0.0014 0.0097
Loa Loa (eye worm) tubulin alpha chain 0.0038 0.0013 0.0013
Brugia malayi tubulin alpha-2 chain 0.0038 0.0013 0.0013
Loa Loa (eye worm) tubulin alpha chain 0.0038 0.0013 0.0013
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Loa Loa (eye worm) hypothetical protein 0.0026 0.0000068336 0.0000068336
Brugia malayi Tubulin alpha-2 chain 0.0038 0.0013 0.0013
Schistosoma mansoni lipoxygenase 0.0102 0.0083 0.4743
Echinococcus granulosus RUN 0.0039 0.0014 0.0097
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Onchocerca volvulus 0.0039 0.0014 0.5
Brugia malayi hypothetical protein 0.0039 0.0014 0.0014
Brugia malayi tubulin alpha chain - mouse 0.0038 0.0013 0.0013
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.3558 0.3911 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.0014 0.0097
Leishmania major alpha tubulin 0.0038 0.0013 0.0033
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.3558 0.3911 1
Brugia malayi hypothetical protein 0.0039 0.0014 0.0014

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 256 mg l-1 In vitro inhibitory activity against Candida albicans ChEMBL. 12565945

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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