Detailed information for compound 1406748
Basic information
Technical information
- TDR Targets ID: 1406748
- Name: N-(4-bromophenyl)-2-[6-hydroxy-1-(2-methoxyph enyl)-4-oxopyrimidin-2-yl]sulfanylacetamide
- MW: 462.317 | Formula: C19H16BrN3O4S
-
H donors: 2
H acceptors: 3
LogP: 3.38
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccccc1n1c(SCC(=O)Nc2ccc(cc2)Br)nc(=O)cc1O
- InChi: 1S/C19H16BrN3O4S/c1-27-15-5-3-2-4-14(15)23-18(26)10-16(24)22-19(23)28-11-17(25)21-13-8-6-12(20)7-9-13/h2-10,26H,11H2,1H3,(H,21,25)
- InChiKey: GHXDATMTADEYAB-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(4-bromophenyl)-2-[6-hydroxy-1-(2-methoxyphenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-acetamide
- N-(4-bromophenyl)-2-[[6-hydroxy-1-(2-methoxyphenyl)-4-oxo-2-pyrimidinyl]thio]acetamide
- N-(4-bromophenyl)-2-[[6-hydroxy-4-keto-1-(2-methoxyphenyl)pyrimidin-2-yl]thio]acetamide
- N-(4-bromophenyl)-2-[6-hydroxy-1-(2-methoxyphenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-ethanamide
- SMR000431636
- STK299081
- MLS000768315
- N-(4-Bromo-phenyl)-2-[4-hydroxy-1-(2-methoxy-phenyl)-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl]-aceta mide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | Werner syndrome, RecQ helicase-like | Starlite/ChEMBL | No references |
| Streptococcus pyogenes serotype M1 | Streptokinase A | 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 |
|---|---|---|---|---|
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0029 | 0.1637 | 0.505 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.2583 | 1 |
| Entamoeba histolytica | recQ family helicase, putative | 0.0015 | 0.0671 | 0.2599 |
| Toxoplasma gondii | NAC domain-containing protein | 0.0042 | 0.2583 | 1 |
| Echinococcus multilocularis | transcription factor btf3 | 0.0042 | 0.2583 | 1 |
| Schistosoma mansoni | DNA helicase recq5 | 0.0012 | 0.042 | 0.1624 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.042 | 0.1624 |
| Echinococcus multilocularis | bloom syndrome protein | 0.0029 | 0.1637 | 0.5626 |
| Trichomonas vaginalis | DNA helicase recq1, putative | 0.0029 | 0.1637 | 0.505 |
| Schistosoma mansoni | transcription factor btf3 | 0.0042 | 0.2583 | 1 |
| Plasmodium falciparum | ADP-dependent DNA helicase RecQ | 0.0025 | 0.1385 | 0.4463 |
| Loa Loa (eye worm) | RecQ helicase | 0.0029 | 0.1637 | 0.1271 |
| Trypanosoma brucei | transcription factor BTF3, putative | 0.0042 | 0.2583 | 1 |
| Brugia malayi | Bloom's syndrome protein homolog | 0.0029 | 0.1637 | 0.5626 |
| Schistosoma mansoni | DNA helicase recq1 | 0.0012 | 0.042 | 0.1624 |
| Entamoeba histolytica | transcription factor BTF3, putative | 0.0042 | 0.2583 | 1 |
| Leishmania major | basic transcription factor 3a, putative | 0.0042 | 0.2583 | 1 |
| Giardia lamblia | Sgs1 DNA helicase, putative | 0.0012 | 0.042 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.2583 | 1 |
| Plasmodium vivax | basic transcription factor 3b, putative | 0.0042 | 0.2583 | 1 |
| Trypanosoma cruzi | transcription factor btf3, putative | 0.0042 | 0.2583 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.2583 | 1 |
| Echinococcus granulosus | transcription factor btf3 | 0.0042 | 0.2583 | 1 |
| Schistosoma mansoni | blooms syndrome DNA helicase | 0.0023 | 0.1201 | 0.4648 |
| Entamoeba histolytica | hypothetical protein | 0.0042 | 0.2583 | 1 |
| Brugia malayi | beta-NAC-like protein | 0.0042 | 0.2583 | 1 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0019 | 0.0949 | 0.3674 |
| Trypanosoma cruzi | transcription factor btf3, putative | 0.0042 | 0.2583 | 1 |
| Echinococcus granulosus | bloom syndrome protein | 0.0029 | 0.1637 | 0.5626 |
| Loa Loa (eye worm) | ICD-1 protein | 0.0042 | 0.2583 | 0.2259 |
| Plasmodium falciparum | basic transcription factor 3b, putative | 0.0042 | 0.2583 | 1 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.042 | 0.1624 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | = 10.314 um | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] | ChEMBL. | No reference |
| Potency (functional) | 8.9125 uM | PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 112.2018 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] | 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: CHEMBL1544188
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.