Detailed information for compound 898509
Basic information
Technical information
- TDR Targets ID: 898509
- Name: (E)-N-[2-[(2E)-2-[(4-dimethylaminophenyl)meth ylidene]hydrazinyl]-2-oxoethyl]-3-furan-2-ylp rop-2-enamide
- MW: 340.376 | Formula: C18H20N4O3
-
H donors: 2
H acceptors: 2
LogP: 1.83
Rotable bonds: 9
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(CNC(=O)/C=C/c1ccco1)N/N=C/c1ccc(cc1)N(C)C
- InChi: 1S/C18H20N4O3/c1-22(2)15-7-5-14(6-8-15)12-20-21-18(24)13-19-17(23)10-9-16-4-3-11-25-16/h3-12H,13H2,1-2H3,(H,19,23)(H,21,24)/b10-9+,20-12+
- InChiKey: IWFZFUOCHVQEEW-IIASEUIPSA-N
Network
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Synonyms
- N-[2-[2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-furan-2-ylprop-2-enamide
- (E)-N-[2-[2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-furan-2-ylprop-2-enamide
- (E)-N-[2-[(N'E)-N'-[(4-dimethylaminophenyl)methylene]hydrazino]-2-oxo-ethyl]-3-(2-furyl)prop-2-enamide
- N-[2-[N'-[(4-dimethylaminophenyl)methylene]hydrazino]-2-oxo-ethyl]-3-(2-furyl)prop-2-enamide
- (E)-N-[2-[N'-[(4-dimethylaminophenyl)methylene]hydrazino]-2-oxo-ethyl]-3-(2-furyl)prop-2-enamide
- (E)-N-[2-[N'-[(4-dimethylaminophenyl)methylene]hydrazino]-2-oxoethyl]-3-(2-furyl)prop-2-enamide
- (E)-N-[2-[(N'E)-N'-[(4-dimethylaminophenyl)methylene]hydrazino]-2-oxoethyl]-3-(2-furyl)prop-2-enamide
- N-[2-[N'-[(4-dimethylaminophenyl)methylene]hydrazino]-2-oxoethyl]-3-(2-furyl)prop-2-enamide
- (E)-N-[2-[(N'E)-N'-(4-dimethylaminobenzylidene)hydrazino]-2-keto-ethyl]-3-(2-furyl)acrylamide
- N-[2-[N'-(4-dimethylaminobenzylidene)hydrazino]-2-keto-ethyl]-3-(2-furyl)acrylamide
- (E)-N-[2-[N'-(4-dimethylaminobenzylidene)hydrazino]-2-keto-ethyl]-3-(2-furyl)acrylamide
- (E)-N-[2-[2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-2-oxo-ethyl]-3-furan-2-yl-prop-2-enamide
- (E)-N-[2-[(2E)-2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-2-oxo-ethyl]-3-furan-2-yl-prop-2-enamide
- N-[2-[2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-2-oxo-ethyl]-3-furan-2-yl-prop-2-enamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0016 | 0.0312 | 0.5 |
| Plasmodium falciparum | thioredoxin reductase | 0.0046 | 0.2529 | 1 |
| Trypanosoma cruzi | trypanothione reductase, putative | 0.0046 | 0.2529 | 1 |
| Brugia malayi | glutathione reductase | 0.0046 | 0.2529 | 0.2569 |
| Mycobacterium ulcerans | flavoprotein disulfide reductase | 0.0016 | 0.0312 | 0.5 |
| Mycobacterium tuberculosis | Probable reductase | 0.0104 | 0.6874 | 0.8837 |
| Mycobacterium ulcerans | dihydrolipoamide dehydrogenase | 0.0016 | 0.0312 | 0.5 |
| Toxoplasma gondii | thioredoxin reductase | 0.0046 | 0.2529 | 1 |
| Chlamydia trachomatis | dihydrolipoyl dehydrogenase | 0.0016 | 0.0312 | 0.5 |
| Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0116 | 0.7738 | 1 |
| Loa Loa (eye worm) | transcription factor SMAD2 | 0.0144 | 0.9842 | 1 |
| Mycobacterium tuberculosis | Putative ferredoxin reductase | 0.0104 | 0.6874 | 0.8837 |
| Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0016 | 0.0312 | 0.5 |
| Brugia malayi | Thioredoxin reductase | 0.0046 | 0.2529 | 0.2569 |
| Brugia malayi | MH2 domain containing protein | 0.0144 | 0.9842 | 1 |
| Trichomonas vaginalis | glutathione reductase, putative | 0.0016 | 0.0312 | 0.5 |
| Plasmodium vivax | thioredoxin reductase, putative | 0.0046 | 0.2529 | 1 |
| Mycobacterium tuberculosis | Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB | 0.0104 | 0.6874 | 0.8837 |
| Trypanosoma brucei | trypanothione reductase | 0.0046 | 0.2529 | 1 |
| Giardia lamblia | NADH oxidase lateral transfer candidate | 0.0016 | 0.0312 | 0.5 |
| Mycobacterium tuberculosis | Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras | 0.0116 | 0.7738 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0116 | 0.7738 | 1 |
| Mycobacterium tuberculosis | Probable NADH dehydrogenase Ndh | 0.0104 | 0.6874 | 0.8837 |
| Loa Loa (eye worm) | MH2 domain-containing protein | 0.0144 | 0.9842 | 1 |
| Echinococcus multilocularis | thioredoxin glutathione reductase | 0.0046 | 0.2574 | 1 |
| Trichomonas vaginalis | mercuric reductase, putative | 0.0016 | 0.0312 | 0.5 |
| Mycobacterium tuberculosis | Probable membrane NADH dehydrogenase NdhA | 0.0104 | 0.6874 | 0.8837 |
| Brugia malayi | dihydrolipoyl dehydrogenase, mitochondrial precursor, putative | 0.0016 | 0.0312 | 0.0317 |
| Mycobacterium tuberculosis | NAD(P)H quinone reductase LpdA | 0.0116 | 0.7738 | 1 |
| Mycobacterium tuberculosis | NADPH-dependent mycothiol reductase Mtr | 0.0046 | 0.2529 | 0.2985 |
| Plasmodium falciparum | glutathione reductase | 0.0046 | 0.2529 | 1 |
| Leishmania major | trypanothione reductase | 0.0046 | 0.2529 | 1 |
| Mycobacterium ulcerans | dihydrolipoamide dehydrogenase, LpdB | 0.0016 | 0.0312 | 0.5 |
| Plasmodium vivax | glutathione reductase, putative | 0.0046 | 0.2529 | 1 |
| Echinococcus granulosus | thioredoxin glutathione reductase | 0.0046 | 0.2574 | 1 |
| Treponema pallidum | NADH oxidase | 0.0016 | 0.0312 | 0.5 |
| Mycobacterium tuberculosis | Probable dehydrogenase | 0.0104 | 0.6874 | 0.8837 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 2.5119 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No 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) | 10.4179 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 14.7157 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) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | ChEMBL. | No reference |
| Potency (functional) | 21.3313 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) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | 25.1189 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.0929 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 70.7946 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | ||
| 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: CHEMBL3192757
- 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.