Detailed information for compound 1315424
Basic information
Technical information
- TDR Targets ID: 1315424
- Name: (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-p henyl-1,3-oxazol-5-one
- MW: 309.316 | Formula: C18H15NO4
-
H donors: 0
H acceptors: 1
LogP: 3.5
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(c(c1)/C=C/1\N=C(OC1=O)c1ccccc1)OC
- InChi: 1S/C18H15NO4/c1-21-14-8-9-16(22-2)13(10-14)11-15-18(20)23-17(19-15)12-6-4-3-5-7-12/h3-11H,1-2H3/b15-11-
- InChiKey: HIPBGLRLKCZQDO-PTNGSMBKSA-N
Network
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Synonyms
- (4Z)-4-[(2,5-dimethoxyphenyl)methylene]-2-phenyl-oxazol-5-one
- (4Z)-4-[(2,5-dimethoxyphenyl)methylene]-2-phenyl-5-oxazolone
- (4Z)-4-(2,5-dimethoxybenzylidene)-2-phenyl-oxazol-5-one
- 4-(2,5-Dimethoxy-benzylidene)-2-phenyl-4H-oxazol-5-one
- BAS 00296524
- STOCK2S-21561
- MLS001209269
- SMR000513353
- AH-487/13581002
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | troponin T type 2 (cardiac) | Starlite/ChEMBL | No references |
| Homo sapiens | polo-like kinase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | corticotropin releasing hormone binding protein | No references | |
| Homo sapiens | troponin I type 3 (cardiac) | Starlite/ChEMBL | No references |
| Homo sapiens | corticotropin releasing hormone receptor 2 | No references | |
| Homo sapiens | ubiquitin specific peptidase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | troponin C type 1 (slow) | 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 |
|---|---|---|---|---|---|
| Plasmodium falciparum | centrin-3 | troponin C type 1 (slow) | 161 aa | 148 aa | 33.1 % |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | corticotropin releasing hormone receptor 2 | 438 aa | 383 aa | 26.1 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | troponin i | 0.0129 | 0.517 | 0.5935 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.1527 | 0.0977 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.2317 | 0.1818 |
| Schistosoma mansoni | troponin I | 0.0129 | 0.517 | 0.7799 |
| Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0114 | 0.4552 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.4552 | 1 |
| Brugia malayi | Troponin I | 0.0129 | 0.517 | 0.4856 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.4552 | 1 |
| Schistosoma mansoni | troponin I | 0.0129 | 0.517 | 0.7799 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.4552 | 1 |
| Brugia malayi | Troponin T | 0.0076 | 0.2993 | 0.2538 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.4552 | 1 |
| Echinococcus granulosus | troponin i | 0.0129 | 0.517 | 0.5935 |
| Brugia malayi | serine/threonine-protein kinase plk-2 | 0.0114 | 0.4552 | 0.4198 |
| Loa Loa (eye worm) | troponin | 0.0076 | 0.2993 | 0.2538 |
| Trypanosoma brucei | polo-like protein kinase | 0.0114 | 0.4552 | 1 |
| Onchocerca volvulus | Troponin I homolog | 0.0129 | 0.517 | 0.6284 |
| Echinococcus granulosus | oncosphere protein Tso22e | 0.016 | 0.6456 | 0.761 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.1527 | 0.0977 |
| Loa Loa (eye worm) | hypothetical protein | 0.0076 | 0.2993 | 0.2538 |
| Echinococcus multilocularis | oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22 | 0.016 | 0.6456 | 0.761 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.4552 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.1527 | 0.1569 |
| Loa Loa (eye worm) | hypothetical protein | 0.0129 | 0.517 | 0.4856 |
| Echinococcus multilocularis | diuretic hormone 44 receptor GPRdih2 | 0.0204 | 0.8293 | 1 |
| Loa Loa (eye worm) | troponin I | 0.0129 | 0.517 | 0.4856 |
| Giardia lamblia | Kinase, PLK | 0.0114 | 0.4552 | 0.5 |
| Schistosoma mansoni | troponin I | 0.0129 | 0.517 | 0.7799 |
| Schistosoma mansoni | kinase | 0.0058 | 0.2225 | 0.2762 |
| Brugia malayi | Troponin T | 0.0076 | 0.2993 | 0.2538 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.4552 | 1 |
| Brugia malayi | Troponin T | 0.0076 | 0.2993 | 0.2538 |
| Brugia malayi | Troponin family protein | 0.0129 | 0.517 | 0.4856 |
| Echinococcus granulosus | serine:threonine protein kinase PLK1 | 0.0114 | 0.4552 | 0.5131 |
| Onchocerca volvulus | Troponin T, skeletal muscle homolog | 0.016 | 0.6456 | 1 |
| Schistosoma mansoni | troponin I | 0.0129 | 0.517 | 0.7799 |
| Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0114 | 0.4552 | 0.5 |
| Echinococcus granulosus | diuretic hormone 44 receptor GPRdih2 | 0.0204 | 0.8293 | 1 |
| Echinococcus multilocularis | serine:threonine protein kinase PLK1 | 0.0114 | 0.4552 | 0.5131 |
| Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.0114 | 0.4552 | 0.4198 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.4552 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0129 | 0.517 | 0.7799 |
| Schistosoma mansoni | troponin t invertebrate | 0.016 | 0.6456 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0114 | 0.4552 | 0.6743 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.4552 | 1 |
| Loa Loa (eye worm) | troponin T | 0.0076 | 0.2993 | 0.2538 |
| Loa Loa (eye worm) | hypothetical protein | 0.0129 | 0.517 | 0.4856 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.4552 | 1 |
| Brugia malayi | hypothetical protein | 0.0076 | 0.2993 | 0.2538 |
| Onchocerca volvulus | Serine\/threonine kinase homolog | 0.0114 | 0.4552 | 0.4501 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.2317 | 0.1818 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | = 2.29 uM | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) | ChEMBL. | No reference |
| EC50 (binding) | = 2.576 uM | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for activators of the calcium sensitivity of cardiac Regulated Thin Filaments (RTF). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493008, AID493018, AID504382, AID504383] | ChEMBL. | No reference |
| EC50 (functional) | = 39.1 uM | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743] | ChEMBL. | No reference |
| EC50 (functional) | > 99 uM | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743] | ChEMBL. | No reference |
| Potency (functional) | 0.0047 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 7.9433 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) | 22.3872 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 to Find Inhibitors of Pin1. (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) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] | 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 Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 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 |
| Potency (functional) | 41.0523 uM | PubChem BioAssay. qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101: Hit Validation. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 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) | 100 uM | PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 112.2018 uM | PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | 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: CHEMBL1466606
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.