Detailed information for compound 871457
Basic information
Technical information
- TDR Targets ID: 871457
- Name: N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-met hylfuran-2-carboxamide
- MW: 302.323 | Formula: C15H11FN2O2S
-
H donors: 1
H acceptors: 2
LogP: 3.68
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: Fc1ccc(cc1)c1csc(n1)NC(=O)c1ccc(o1)C
- InChi: 1S/C15H11FN2O2S/c1-9-2-7-13(20-9)14(19)18-15-17-12(8-21-15)10-3-5-11(16)6-4-10/h2-8H,1H3,(H,17,18,19)
- InChiKey: FJWVJMKDPYTVIQ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-[4-(4-fluorophenyl)thiazol-2-yl]-5-methyl-furan-2-carboxamide
- N-[4-(4-fluorophenyl)-2-thiazolyl]-5-methyl-2-furancarboxamide
- N-[4-(4-fluorophenyl)thiazol-2-yl]-5-methyl-2-furamide
- N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-furan-2-carboxamide
- ZINC00068327
- IVK/8089884
- Oprea1_834258
- MLS001001416
- N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-2-furamide
- SMR000496898
- CBMicro_045581
- EU-0039905
- BIM-0045631.P001
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
| Homo sapiens | bromodomain adjacent to zinc finger domain, 2B | 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 |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0072 | 0.7186 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.9213 | 1 |
| Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0027 | 0.0351 | 0.0448 |
| Schistosoma mansoni | bromodomain containing protein | 0.0076 | 0.7844 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.3698 | 0.4014 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.4049 | 0.4395 |
| Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.3262 | 0.3541 |
| Brugia malayi | Bromodomain containing protein | 0.0046 | 0.3249 | 0.2673 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2814 | 0.3603 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2814 | 0.3603 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0072 | 0.7186 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | > 100 uM | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.7079 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 30.1313 uM | PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] | ChEMBL. | No reference |
| Potency (functional) | 75.6863 uM | PUBCHEM_BIOASSAY: qHTS for antagonists of the Thyroid Stimulation Hormone Receptor: Hit Validation in Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 100 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | 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: CHEMBL1386687
- 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.