Detailed information for compound 1551048
Basic information
Technical information
- TDR Targets ID: 1551048
- Name: N-(4-methyl-1,3-thiazol-2-yl)-1-(5-nitrofuran -2-yl)methanimine
- MW: 237.235 | Formula: C9H7N3O3S
-
H donors: 0
H acceptors: 3
LogP: 2.55
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: [O-][N+](=O)c1ccc(o1)C=Nc1nc(cs1)C
- InChi: 1S/C9H7N3O3S/c1-6-5-16-9(11-6)10-4-7-2-3-8(15-7)12(13)14/h2-5H,1H3
- InChiKey: OPWJYYKBJLEFLH-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(4-methylthiazol-2-yl)-1-(5-nitro-2-furyl)methanimine
- N-(4-methyl-2-thiazolyl)-1-(5-nitro-2-furyl)methanimine
- (4-methylthiazol-2-yl)-[(5-nitro-2-furyl)methylene]amine
- (E)-(4-methylthiazol-2-yl)-[(5-nitro-2-furyl)methylene]amine
- NSC166725
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | polymerase (DNA directed), eta | 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 |
|---|---|---|---|---|---|
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.5459 | 0.6547 |
| Mycobacterium tuberculosis | Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) | 0.0023 | 0 | 0.5 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0054 | 0.8338 | 0.8338 |
| Trichomonas vaginalis | DNA polymerase IV / kappa, putative | 0.0023 | 0 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.5459 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.5459 | 1 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0054 | 0.8338 | 0.8338 |
| Leishmania major | DNA polymerase eta, putative | 0.0054 | 0.8338 | 1 |
| Echinococcus granulosus | dna polymerase eta | 0.0054 | 0.8338 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.4837 | 0.5802 |
| Leishmania major | DNA polymerase eta, putative | 0.0038 | 0.3982 | 0.4775 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.4837 | 0.4837 |
| Schistosoma mansoni | DNA polymerase eta | 0.0054 | 0.8338 | 1 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 0 | 0.5 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0054 | 0.8338 | 1 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.5459 | 0.6547 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase eta, putative | 0.0054 | 0.8338 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.4837 | 0.4837 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.5459 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.5459 | 1 |
| Trichomonas vaginalis | DNA polymerase eta, putative | 0.0023 | 0 | 0.5 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.5459 | 0.6547 |
| Echinococcus multilocularis | dna polymerase eta | 0.0054 | 0.8338 | 1 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.5459 | 0.5459 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0023 | 0 | 0.5 |
| Giardia lamblia | DINP protein human, muc B family | 0.0023 | 0 | 0.5 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0038 | 0.3982 | 0.4775 |
| Toxoplasma gondii | ImpB/MucB/SamB family protein | 0.0038 | 0.3982 | 0.5 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.5459 | 0.6547 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 4.4668 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) | 12.5893 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 17.7828 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 30.1313 uM | PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) | 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) | 84.9214 uM | PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 |
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: CHEMBL1903924
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.