Detailed information for compound 1705015
Basic information
Technical information
- TDR Targets ID: 1705015
- Name: ZINC01130824
- MW: 415.325 | Formula: C15H15BrN2O3S2
-
H donors: 1
H acceptors: 3
LogP: 3.98
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: Brc1ccc(s1)S(=O)(=O)Nc1ccccc1C(=O)N1CCCC1
- InChi: 1S/C15H15BrN2O3S2/c16-13-7-8-14(22-13)23(20,21)17-12-6-2-1-5-11(12)15(19)18-9-3-4-10-18/h1-2,5-8,17H,3-4,9-10H2
- InChiKey: FHZFLXHJVJHPBR-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 5-bromo-N-[2-(1-pyrrolidinylcarbonyl)phenyl]-2-thiophenesulfonamide
- MLS000096962
- SMR000074765
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Bacillus subtilis (strain 168) | ATP-dependent Clp protease proteolytic subunit | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Mycobacterium ulcerans | proteasome PrcB | 0.014 | 0.2837 | 1 |
| Mycobacterium tuberculosis | Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. | 0.014 | 0.2837 | 0.5 |
| Echinococcus granulosus | proteasome prosome macropain | 0.014 | 0.2837 | 0.2837 |
| Plasmodium falciparum | cysteine repeat modular protein 1 | 0.0253 | 1 | 1 |
| Plasmodium falciparum | proteasome subunit beta type-5 | 0.014 | 0.2837 | 0.2837 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0253 | 1 | 1 |
| Giardia lamblia | Proteasome subunit beta type 5 precursor | 0.014 | 0.2837 | 0.5 |
| Onchocerca volvulus | 0.0253 | 1 | 0.5 | |
| Brugia malayi | Kringle domain containing protein | 0.0253 | 1 | 1 |
| Brugia malayi | Proteasome A-type and B-type family protein | 0.014 | 0.2837 | 0.2837 |
| Loa Loa (eye worm) | hypothetical protein | 0.0253 | 1 | 1 |
| Loa Loa (eye worm) | proteasome A-type and B-type family protein | 0.014 | 0.2837 | 0.2837 |
| Schistosoma mansoni | proteasome catalytic subunit 3 (T01 family) | 0.014 | 0.2837 | 0.2837 |
| Loa Loa (eye worm) | TK/ROR protein kinase | 0.0253 | 1 | 1 |
| Plasmodium vivax | proteasome subunit beta type-5, putative | 0.014 | 0.2837 | 0.2837 |
| Treponema pallidum | ATP-dependent Clp protease proteolytic subunit | 0.0094 | 0 | 0.5 |
| Toxoplasma gondii | proteasome subunit beta type, putative | 0.014 | 0.2837 | 0.2837 |
| Echinococcus granulosus | tissue type plasminogen activator | 0.0253 | 1 | 1 |
| Entamoeba histolytica | proteasome subunit beta type 5 precursor, putative | 0.014 | 0.2837 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0253 | 1 | 1 |
| Toxoplasma gondii | kringle domain-containing protein | 0.0253 | 1 | 1 |
| Trypanosoma brucei | proteasome subunit beta type-5, putative | 0.014 | 0.2837 | 0.5 |
| Chlamydia trachomatis | ATP-dependent Clp protease proteolytic subunit | 0.0094 | 0 | 0.5 |
| Trichomonas vaginalis | Family T1, proteasome beta subunit, threonine peptidase | 0.014 | 0.2837 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0253 | 1 | 1 |
| Echinococcus multilocularis | proteasome (prosome, macropain) | 0.014 | 0.2837 | 0.2837 |
| Echinococcus multilocularis | tissue type plasminogen activator | 0.0253 | 1 | 1 |
| Chlamydia trachomatis | ATP-dependent Clp protease proteolytic subunit | 0.0094 | 0 | 0.5 |
| Mycobacterium leprae | proteasome (beta subunit) PrcB | 0.014 | 0.2837 | 1 |
| Wolbachia endosymbiont of Brugia malayi | ATP-dependent Clp protease proteolytic subunit | 0.0094 | 0 | 0.5 |
| Plasmodium vivax | cysteine repeat modular protein 1, putative | 0.0253 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 15.8489 uM | PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
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: CHEMBL2140321
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.