Detailed information for compound 1308290
Basic information
Technical information
- TDR Targets ID: 1308290
- Name: 2-[(4-acetamidophenyl)sulfonylamino]-N-(1-phe nylethyl)propanamide
- MW: 389.469 | Formula: C19H23N3O4S
-
H donors: 3
H acceptors: 4
LogP: 1.71
Rotable bonds: 9
Rule of 5 violations (Lipinski): 1 - SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(C(=O)NC(c1ccccc1)C)C
- InChi: 1S/C19H23N3O4S/c1-13(16-7-5-4-6-8-16)20-19(24)14(2)22-27(25,26)18-11-9-17(10-12-18)21-15(3)23/h4-14,22H,1-3H3,(H,20,24)(H,21,23)
- InChiKey: RBSPXEPGTCKEKY-UHFFFAOYSA-N
Network
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Synonyms
- N-[4-[[2-keto-1-methyl-2-(1-phenylethylamino)ethyl]sulfamoyl]phenyl]acetamide
- MLS001003130
- SMR000372770
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | polo-like kinase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | ubiquitin specific peptidase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | growth factor, augmenter of liver regeneration | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Toxoplasma gondii | Erv1 / Alr family protein | 0.0041 | 0.3241 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 1 |
| Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0114 | 1 | 1 |
| Echinococcus multilocularis | serine:threonine protein kinase PLK1 | 0.0114 | 1 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 1 |
| Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.0114 | 1 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 1 |
| Plasmodium vivax | FAD-linked sulfhydryl oxidase ERV1, putative | 0.0041 | 0.3241 | 1 |
| Giardia lamblia | Kinase, PLK | 0.0114 | 1 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 1 |
| Loa Loa (eye worm) | hepatopoietin HPO2 | 0.0041 | 0.3241 | 0.3241 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 1 |
| Echinococcus granulosus | serine:threonine protein kinase PLK1 | 0.0114 | 1 | 1 |
| Toxoplasma gondii | Erv1 / Alr family protein | 0.0041 | 0.3241 | 1 |
| Plasmodium falciparum | FAD-linked sulfhydryl oxidase ERV1, putative | 0.0041 | 0.3241 | 1 |
| Trypanosoma brucei | polo-like protein kinase | 0.0114 | 1 | 1 |
| Onchocerca volvulus | Serine\/threonine kinase homolog | 0.0114 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0114 | 1 | 1 |
| Trypanosoma cruzi | Present in the outer mitochondrial membrane proteome 4 | 0.0041 | 0.3241 | 0.3241 |
| Brugia malayi | Augmenter of liver regeneration | 0.0041 | 0.3241 | 0.3241 |
| Echinococcus multilocularis | FAD linked sulfhydryl oxidase ALR | 0.0041 | 0.3241 | 0.3241 |
| Echinococcus granulosus | FAD linked sulfhydryl oxidase ALR | 0.0041 | 0.3241 | 0.3241 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 1 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 1 |
| Trypanosoma cruzi | ERV/ALR sulfhydryl oxidase domain-containing protein | 0.0041 | 0.3241 | 0.3241 |
| Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0114 | 1 | 0.5 |
| Trypanosoma brucei | ERV/ALR sulfhydryl oxidase domain-containing protein | 0.0041 | 0.3241 | 0.3241 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 1 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 1 | 1 |
| Trypanosoma cruzi | Present in the outer mitochondrial membrane proteome 4 | 0.0041 | 0.3241 | 0.3241 |
| Schistosoma mansoni | kinase | 0.0058 | 0.4781 | 0.4781 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| AC50 (binding) | = 0.083 uM | PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] | ChEMBL. | No reference |
| IC50 (functional) | > 66 uM | PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (functional) | > 66 uM | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 3.1623 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.9173 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | 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: CHEMBL1415000
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.