Detailed information for compound 782991
Basic information
Technical information
- TDR Targets ID: 782991
- Name: N-(3-methoxyphenyl)-7-methyl-5-oxo-[1,3]thiaz olo[3,2-a]pyrimidine-6-sulfonamide
- MW: 351.401 | Formula: C14H13N3O4S2
-
H donors: 1
H acceptors: 3
LogP: 1.26
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: COc1cccc(c1)NS(=O)(=O)c1c(C)nc2n(c1=O)ccs2
- InChi: 1S/C14H13N3O4S2/c1-9-12(13(18)17-6-7-22-14(17)15-9)23(19,20)16-10-4-3-5-11(8-10)21-2/h3-8,16H,1-2H3
- InChiKey: AOQCAGGXSDVUKW-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(3-methoxyphenyl)-7-methyl-5-oxo-thiazolo[3,2-a]pyrimidine-6-sulfonamide
- N-(3-methoxyphenyl)-7-methyl-5-oxo-6-thiazolo[3,2-a]pyrimidinesulfonamide
- 5-keto-N-(3-methoxyphenyl)-7-methyl-thiazolo[3,2-a]pyrimidine-6-sulfonamide
- ZINC06784622
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
| Homo sapiens | pyruvate kinase, muscle | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Echinococcus granulosus | pyruvate kinase | pyruvate kinase, muscle | 605 aa | 521 aa | 34.9 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 1 | 1 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 1 | 1 |
| Mycobacterium tuberculosis | Probable pyruvate kinase PykA | 0.004 | 0.3513 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Plasmodium falciparum | pyruvate kinase | 0.004 | 0.3513 | 1 |
| Mycobacterium ulcerans | pyruvate kinase | 0.004 | 0.3513 | 0.5 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 1 | 1 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.3513 | 0.3513 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Toxoplasma gondii | pyruvate kinase PyK1 | 0.004 | 0.3513 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.004 | 0.3513 | 0.2518 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 1 | 1 |
| Entamoeba histolytica | pyruvate kinase, putative | 0.0028 | 0.1329 | 0.5 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.3513 | 0.3513 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.3513 | 0.3513 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.3513 | 0.2518 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.3513 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Giardia lamblia | Pyruvate kinase | 0.004 | 0.3513 | 1 |
| Leishmania major | pyruvate kinase | 0.004 | 0.3513 | 0.5 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.3513 | 0.2518 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.3513 | 0.5 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 1 | 1 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.3513 | 0.5 |
| Leishmania major | pyruvate kinase | 0.004 | 0.3513 | 0.5 |
| Trypanosoma brucei | pyruvate kinase 1 | 0.004 | 0.3513 | 0.5 |
| Plasmodium vivax | pyruvate kinase, putative | 0.004 | 0.3513 | 1 |
| Brugia malayi | TAR-binding protein | 0.0076 | 1 | 1 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.3513 | 0.3513 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.3513 | 0.3513 |
| Echinococcus multilocularis | pyruvate kinase | 0.0032 | 0.1992 | 0.1992 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.3513 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.3513 | 0.5 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.3513 | 0.3513 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.3513 | 0.5 |
| Trypanosoma brucei | pyruvate kinase 1, putative | 0.004 | 0.3513 | 0.5 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 1 | 1 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.3513 | 0.2518 |
| Chlamydia trachomatis | pyruvate kinase | 0.004 | 0.3513 | 0.5 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.3513 | 0.5 |
| Mycobacterium leprae | Probable pyruvate kinase PykA | 0.004 | 0.3513 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] | ChEMBL. | No reference |
| Potency (functional) | 8.9125 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 32.6427 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] | 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: CHEMBL1356592
- Search by Saint Jude
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.