Detailed information for compound 140839
Basic information
Technical information
- Name: Unnamed compound
- MW: 241.24 | Formula: C11H15NO5
-
H donors: 3
H acceptors: 3
LogP: -0.78
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: COC(=O)c1cc(oc1C)C1NCC(C1O)O
- InChi: 1S/C11H15NO5/c1-5-6(11(15)16-2)3-8(17-5)9-10(14)7(13)4-12-9/h3,7,9-10,12-14H,4H2,1-2H3
- InChiKey: PWMHDFWOBAXQDM-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | fucosidase, alpha-L- 1, tissue | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Echinococcus multilocularis | fucosidase, alpha L 1, tissue | Get druggable targets OG5_129683 | All targets in OG5_129683 |
| Schistosoma mansoni | alpha-l-fucosidase | Get druggable targets OG5_129683 | All targets in OG5_129683 |
| Loa Loa (eye worm) | alpha-L-fucosidase | Get druggable targets OG5_129683 | All targets in OG5_129683 |
| Mycobacterium ulcerans | alpha-L-fucosidase | Get druggable targets OG5_129683 | All targets in OG5_129683 |
| Schistosoma japonicum | ko:K01206 alpha-L-fucosidase [EC3.2.1.51], putative | Get druggable targets OG5_129683 | All targets in OG5_129683 |
| Echinococcus granulosus | fucosidase alpha L 1 tissue | Get druggable targets OG5_129683 | All targets in OG5_129683 |
| Brugia malayi | Alpha-L-fucosidase family protein | Get druggable targets OG5_129683 | All targets in OG5_129683 |
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 |
|---|---|---|---|---|
| Plasmodium falciparum | ADP-dependent DNA helicase RecQ | 0.0022 | 0.0332 | 1 |
| Trypanosoma cruzi | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0014 | 0.0161 | 0.5 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0011 | 0.0101 | 0.4422 |
| Brugia malayi | Bloom's syndrome protein homolog | 0.0025 | 0.0393 | 0.0495 |
| Schistosoma mansoni | alpha-l-fucosidase | 0.0313 | 0.6005 | 1 |
| Leishmania major | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0014 | 0.0161 | 0.5 |
| Echinococcus multilocularis | fucosidase, alpha L 1, tissue | 0.0517 | 1 | 1 |
| Schistosoma mansoni | blooms syndrome DNA helicase | 0.002 | 0.0288 | 0.048 |
| Schistosoma mansoni | DNA helicase recq1 | 0.0011 | 0.0101 | 0.0168 |
| Plasmodium vivax | ADP-dependent DNA helicase RecQ, putative | 0.0017 | 0.0232 | 0.5 |
| Echinococcus multilocularis | bloom syndrome protein | 0.0025 | 0.0393 | 0.0295 |
| Loa Loa (eye worm) | RecQ helicase | 0.0025 | 0.0393 | 0.0495 |
| Echinococcus granulosus | bloom syndrome protein | 0.0025 | 0.0393 | 0.0295 |
| Trichomonas vaginalis | DNA helicase recq1, putative | 0.0025 | 0.0393 | 0.096 |
| Giardia lamblia | Sgs1 DNA helicase, putative | 0.0011 | 0.0101 | 0.5 |
| Brugia malayi | Alpha-L-fucosidase family protein | 0.0313 | 0.6005 | 1 |
| Mycobacterium ulcerans | alpha-L-fucosidase | 0.0517 | 1 | 0.5 |
| Trypanosoma brucei | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0014 | 0.0161 | 0.5 |
| Trichomonas vaginalis | alpha-L-fucosidase, putative | 0.0137 | 0.2576 | 1 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0025 | 0.0393 | 0.096 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0292 | 0.0324 |
| Trichomonas vaginalis | alpha-L-fucosidase, putative | 0.0137 | 0.2576 | 1 |
| Entamoeba histolytica | recQ family helicase, putative | 0.0014 | 0.0161 | 1 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0011 | 0.0101 | 0.4422 |
| Loa Loa (eye worm) | alpha-L-fucosidase | 0.0313 | 0.6005 | 1 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0017 | 0.0228 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0062 | 0.1101 | 0.1834 |
| Schistosoma mansoni | DNA helicase recq5 | 0.0011 | 0.0101 | 0.0168 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 100 uM | Inhibitory concentration against alpha-L-Fucosidase of bovine epididymis | ChEMBL. | 11549468 |
| IC50 (binding) | = 100 uM | Inhibitory concentration against alpha-L-Fucosidase of bovine epididymis | ChEMBL. | 11549468 |
| IC50 (binding) | = 150 uM | Inhibitory concentration against alpha-L-Fucosidase of human placenta | ChEMBL. | 11549468 |
| IC50 (binding) | = 150 uM | Inhibitory concentration against alpha-L-Fucosidase of human placenta | ChEMBL. | 11549468 |
| IC50 (binding) | = 800 uM | Inhibitory concentration against Beta-D-galactosidase of bovine liver | ChEMBL. | 11549468 |
| IC50 (binding) | = 800 uM | Inhibitory concentration against Beta-D-galactosidase of bovine liver | ChEMBL. | 11549468 |
| Inhibition (binding) | % | Inhibitory activity against Beta-glucosidase of Caldocellum saccharolyticum at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | % | Inhibitory activity against Beta-glucosidase of almonds at 1 mM; No inhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | % | Inhibitory activity against Beta-mannosidase of Helix pomatia at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | % | Inhibitory activity against Beta-D-galactosidase of Aspergillus niger at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | % | Inhibitory activity against Beta-D-galactosidase of E. coli at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | % | Inhibitory activity against maltase of rice at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | % | Inhibitory activity against maltase of yeast at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | % | Inhibitory activity against Beta-D-galactosidase of Aspergillus orizae at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | % | Inhibitory activity against isomaltase of baker yeast at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | % | Inhibitory activity against Beta-D-galactosidase of Jack bean at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | % | Inhibitory activity against alpha-N-acetylgalactosaminidase of chicken liver at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against Beta-D-galactosidase of Aspergillus niger at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against Beta-D-galactosidase of Jack bean at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against Alpha-galactosidase of Aspergillus niger at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against Alpha-galactosidase of E. coli at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against Beta-D-galactosidase of E. coli at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against Beta-D-galactosidase of Aspergillus orizae at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against maltase of yeast at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against maltase of rice at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against isomaltase of baker yeast at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | 0 % | Inhibitory activity against Beta-glucosidase of almonds at 1 mM; No inhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against Beta-glucosidase of Caldocellum saccharolyticum at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against Beta-mannosidase of Helix pomatia at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | NI 0 % | Inhibitory activity against alpha-N-acetylgalactosaminidase of chicken liver at 1 mM; Noinhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | 0 % | Inhibitory activity against Beta-N-acetylgalactosaminidase of Jack bean at 1 mM; No inhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | 0 % | Inhibitory activity against Beta-N-acetylgalactosaminidase of bovine epididymis A at 1 mM; No inhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | 0 % | Inhibitory activity against Beta-N-acetylgalactosaminidase of bovine epididymis B at 1 mM; No inhibition | ChEMBL. | 11549468 |
| Inhibition (binding) | = 23 % | Percent inhibition against Amyloglucosidase of Aspergillus niger at 1 mM | ChEMBL. | 11549468 |
| Inhibition (binding) | = 23 % | Percent inhibition against Alpha-mannosidase of Jack bean at 1 mM | ChEMBL. | 11549468 |
| Inhibition (binding) | = 23 % | Percent inhibition against Amyloglucosidase of Aspergillus niger at 1 mM | ChEMBL. | 11549468 |
| Inhibition (binding) | = 33 % | Percent inhibition against Amyloglucosidase of Rhizopus mold at 1 mM | ChEMBL. | 11549468 |
| Inhibition (binding) | = 33 % | Percent inhibition against Amyloglucosidase of Rhizopus mold at 1 mM | ChEMBL. | 11549468 |
| Inhibition (binding) | = 36 % | Percent inhibition against Alpha-mannosidase of Almonds at 1 mM | ChEMBL. | 11549468 |
| Inhibition (binding) | = 42 % | Percent inhibition against Alpha-galactosidase of coffee bean at 1 mM | ChEMBL. | 11549468 |
| Inhibition (binding) | = 42 % | Percent inhibition against Alpha-galactosidase of coffee bean at 1 mM | ChEMBL. | 11549468 |
| Inhibition (binding) | = 54 % | Percent inhibition against Beta-D-galactosidase of bovine liver at 1 mM | ChEMBL. | 11549468 |
| Inhibition (binding) | = 54 % | Percent inhibition against Beta-D-galactosidase of bovine liver at 1 mM | ChEMBL. | 11549468 |
| Inhibition (binding) | = 88 % | Percent inhibition against alpha-L-Fucosidase of human placenta at 1 mM | ChEMBL. | 11549468 |
| Inhibition (binding) | = 88 % | Percent inhibition against alpha-L-Fucosidase of human placenta at 1 mM | ChEMBL. | 11549468 |
| Ki (binding) | = 6.5 uM | Inhibitory activity against alpha-L-Fucosidase of bovine epididymis expressed as Ki | ChEMBL. | 11549468 |
| Ki (binding) | = 6.5 uM | Inhibitory activity against alpha-L-Fucosidase of bovine epididymis expressed as Ki | ChEMBL. | 11549468 |
| Ki (binding) | = 13.8 uM | Inhibitory activity against alpha-L-Fucosidase of human placenta expressed as Ki | ChEMBL. | 11549468 |
| Ki (binding) | = 13.8 uM | Inhibitory activity against alpha-L-Fucosidase of human placenta expressed as Ki | ChEMBL. | 11549468 |
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.
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
- ChEMBL: CHEMBL85767
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.