Detailed information for compound 17283
Basic information
Technical information
- Name: Unnamed compound
- MW: 411.903 | Formula: C18H22ClN3O4S
-
H donors: 1
H acceptors: 3
LogP: 1.64
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: COCCNC(=O)C1CCN(CC1)C(=O)Cn1c(=O)sc2c1cc(Cl)cc2
- InChi: 1S/C18H22ClN3O4S/c1-26-9-6-20-17(24)12-4-7-21(8-5-12)16(23)11-22-14-10-13(19)2-3-15(14)27-18(22)25/h2-3,10,12H,4-9,11H2,1H3,(H,20,24)
- InChiKey: GQBUQLSNSCLABK-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 |
|---|---|---|---|---|
| Trichomonas vaginalis | acid phosphatase, putative | 0.0051 | 1 | 1 |
| Trypanosoma cruzi | membrane-bound acid phosphatase 2, putative | 0.0049 | 0 | 0.5 |
| Entamoeba histolytica | histidine acid phosphatase family protein | 0.0051 | 1 | 0.5 |
| Trichomonas vaginalis | acid phosphatase, putative | 0.0051 | 1 | 1 |
| Trichomonas vaginalis | Lysophosphatidic acid phosphatase type 6 precursor, putative | 0.0051 | 1 | 1 |
| Trichomonas vaginalis | prostatic acid phosphatase, putative | 0.0051 | 1 | 1 |
| Trypanosoma brucei | membrane-bound acid phosphatase 2 | 0.0049 | 0 | 0.5 |
| Schistosoma mansoni | acid phosphatase-related | 0.0051 | 1 | 0.5 |
| Entamoeba histolytica | histidine acid phosphatase family protein | 0.0051 | 1 | 0.5 |
| Giardia lamblia | Lysosomal acid phosphatase precursor | 0.0051 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0051 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0051 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0051 | 1 | 1 |
| Leishmania major | membrane-bound acid phosphatase 2, putative | 0.0051 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0051 | 1 | 0.5 |
| Trichomonas vaginalis | acid phosphatase, putative | 0.0051 | 1 | 1 |
| Echinococcus granulosus | lysosomal acid phosphatase | 0.0051 | 1 | 1 |
| Schistosoma mansoni | prostatic acid phosphatase | 0.0051 | 1 | 0.5 |
| Trichomonas vaginalis | acid phosphatase, putative | 0.0051 | 1 | 1 |
| Trypanosoma cruzi | membrane-bound acid phosphatase 2, putative | 0.0049 | 0 | 0.5 |
| Onchocerca volvulus | 0.0051 | 1 | 0.5 | |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0051 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0051 | 1 | 1 |
| Trypanosoma cruzi | membrane-bound acid phosphatase 2, putative | 0.0049 | 0 | 0.5 |
| Echinococcus multilocularis | lysosomal acid phosphatase | 0.0051 | 1 | 1 |
| Trichomonas vaginalis | histidine acid phosphatase, putative | 0.0051 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0051 | 1 | 1 |
| Leishmania major | membrane-bound acid phosphatase 2 | 0.0051 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0051 | 1 | 1 |
| Trichomonas vaginalis | acid phosphatase, putative | 0.0051 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0051 | 1 | 1 |
| Trichomonas vaginalis | testicular acid phosphatase, putative | 0.0051 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0051 | 1 | 1 |
| Trichomonas vaginalis | acid phosphatase, putative | 0.0051 | 1 | 1 |
| Trypanosoma brucei | membrane-bound acid phosphatase 1 precursor | 0.0049 | 0 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0051 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Inhibition (binding) | 0 % | Tested for the inhibition of [125I]-PYY binding to HEK 293 cells stably expressed with human neuropeptide NPY Y5 receptor at a concentration of 10e-6 M; Not determined | ChEMBL. | 11934581 |
| Inhibition (binding) | 0 % | Tested for the inhibition of [125I]-PYY binding to HEK 293 cells stably expressed with human neuropeptide NPY Y5 receptor at a concentration of 10e-8 M; Not determined | ChEMBL. | 11934581 |
| Inhibition (binding) | 0 % | Tested for the inhibition of [125I]-PYY binding to HEK 293 cells stably expressed with human neuropeptide NPY Y5 receptor at a concentration of 10e-9 M; Not determined | ChEMBL. | 11934581 |
| Inhibition (binding) | = 14.5 % | Tested for the inhibition of [125I]-PYY binding to HEK 293 cells stably expressed with human neuropeptide NPY Y5 receptor at a concentration of 10e-7 M | ChEMBL. | 11934581 |
| Inhibition (binding) | = 14.5 % | Tested for the inhibition of [125I]-PYY binding to HEK 293 cells stably expressed with human neuropeptide NPY Y5 receptor at a concentration of 10e-7 M | ChEMBL. | 11934581 |
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: CHEMBL16490
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.