Detailed information for compound 1489587
Basic information
Technical information
- TDR Targets ID: 1489587
- Name: (E)-N-[2-[(2,5-dimethylphenyl)amino]-2-oxoeth yl]-3-furan-2-yl-N-methylprop-2-enamide
- MW: 312.363 | Formula: C18H20N2O3
-
H donors: 1
H acceptors: 2
LogP: 2.54
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(Nc1cc(C)ccc1C)CN(C(=O)/C=C/c1ccco1)C
- InChi: 1S/C18H20N2O3/c1-13-6-7-14(2)16(11-13)19-17(21)12-20(3)18(22)9-8-15-5-4-10-23-15/h4-11H,12H2,1-3H3,(H,19,21)/b9-8+
- InChiKey: GVTCJSUGWHSPFS-CMDGGOBGSA-N
Network
Hover on a compound node to display the structore
Synonyms
- (E)-N-[2-[(2,5-dimethylphenyl)amino]-2-oxo-ethyl]-3-(2-furyl)-N-methyl-prop-2-enamide
- (E)-N-[2-[(2,5-dimethylphenyl)amino]-2-oxoethyl]-3-(2-furyl)-N-methylprop-2-enamide
- (E)-N-[2-[(2,5-dimethylphenyl)amino]-2-keto-ethyl]-3-(2-furyl)-N-methyl-acrylamide
- (E)-N-[2-[(2,5-dimethylphenyl)amino]-2-oxo-ethyl]-3-furan-2-yl-N-methyl-prop-2-enamide
- T5420302
- MLS000770761
- SMR000343906
- ZINC03555385
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | K(lysine) acetyltransferase 2A | Starlite/ChEMBL | No references |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | 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 |
|---|---|---|---|---|
| Echinococcus granulosus | histone acetyltransferase KAT2B | 0.017 | 0.0775 | 0.2907 |
| Echinococcus granulosus | thioredoxin glutathione reductase | 0.0057 | 0.0063 | 0.0138 |
| Mycobacterium tuberculosis | Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB | 0.013 | 0.0524 | 0.0464 |
| Mycobacterium tuberculosis | Probable membrane NADH dehydrogenase NdhA | 0.013 | 0.0524 | 0.0464 |
| Trichomonas vaginalis | cat eye syndrome critical region protein 2, cscr2, putative | 0.0051 | 0.0027 | 0.5 |
| Loa Loa (eye worm) | cytochrome b | 0.0281 | 0.1473 | 1 |
| Schistosoma mansoni | cytochrome b | 0.0281 | 0.1473 | 0.3714 |
| Mycobacterium ulcerans | ubiquinol-cytochrome C reductase QcrB | 0.1633 | 1 | 0.5 |
| Onchocerca volvulus | 0.1633 | 1 | 0.5 | |
| Mycobacterium tuberculosis | Probable reductase | 0.013 | 0.0524 | 0.0464 |
| Plasmodium falciparum | cytochrome b | 0.046 | 0.2601 | 1 |
| Echinococcus granulosus | cytochrome B | 0.046 | 0.2601 | 1 |
| Mycobacterium tuberculosis | Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras | 0.0145 | 0.0616 | 0.0556 |
| Trypanosoma brucei | trypanothione reductase | 0.0057 | 0.0063 | 0.5 |
| Mycobacterium tuberculosis | Probable dehydrogenase | 0.013 | 0.0524 | 0.0464 |
| Toxoplasma gondii | apocytochrome b, putative | 0.046 | 0.2601 | 1 |
| Toxoplasma gondii | apocytochrome b, putative | 0.0179 | 0.0831 | 0.3122 |
| Leishmania major | trypanothione reductase | 0.0057 | 0.0063 | 0.5 |
| Echinococcus multilocularis | gcn5proteinral control of amino acid synthesis | 0.0175 | 0.0806 | 1 |
| Trichomonas vaginalis | bromodomain-containing protein, putative | 0.0051 | 0.0027 | 0.5 |
| Plasmodium vivax | glutathione reductase, putative | 0.0057 | 0.0063 | 0.0138 |
| Wolbachia endosymbiont of Brugia malayi | cytochrome b subunit of the bc complex | 0.046 | 0.2601 | 0.5 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0145 | 0.0616 | 0.0556 |
| Giardia lamblia | Histone acetyltransferase GCN5 | 0.0047 | 0 | 0.5 |
| Trypanosoma cruzi | trypanothione reductase, putative | 0.0057 | 0.0063 | 0.5 |
| Mycobacterium tuberculosis | Probable ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) | 0.1633 | 1 | 1 |
| Mycobacterium tuberculosis | NAD(P)H quinone reductase LpdA | 0.0145 | 0.0616 | 0.0556 |
| Entamoeba histolytica | acetyltransferase, GNAT family | 0.0047 | 0 | 0.5 |
| Brugia malayi | cytochrome b | 0.0281 | 0.1473 | 1 |
| Mycobacterium tuberculosis | Putative ferredoxin reductase | 0.013 | 0.0524 | 0.0464 |
| Plasmodium falciparum | thioredoxin reductase | 0.0057 | 0.0063 | 0.024 |
| Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0145 | 0.0616 | 0.0097 |
| Mycobacterium tuberculosis | Probable NADH dehydrogenase Ndh | 0.013 | 0.0524 | 0.0464 |
| Schistosoma mansoni | cytochrome b | 0.046 | 0.2601 | 1 |
| Plasmodium falciparum | glutathione reductase | 0.0057 | 0.0063 | 0.024 |
| Loa Loa (eye worm) | acetyltransferase | 0.0175 | 0.0806 | 0.5273 |
| Toxoplasma gondii | thioredoxin reductase | 0.0057 | 0.0063 | 0.0138 |
| Toxoplasma gondii | cytochrome b | 0.046 | 0.2601 | 1 |
| Brugia malayi | acetyltransferase, GNAT family protein | 0.0175 | 0.0806 | 0.5273 |
| Plasmodium vivax | cytochrome b | 0.046 | 0.2601 | 1 |
| Plasmodium vivax | thioredoxin reductase, putative | 0.0057 | 0.0063 | 0.0138 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.1 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | ChEMBL. | No reference |
| Potency (functional) | 0.7079 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
| Potency (functional) | 70.7946 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: CHEMBL1702119
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.