Detailed information for compound 1373865
Basic information
Technical information
- TDR Targets ID: 1373865
- Name: N-(2,4-dimethylphenyl)-4-[2-(2-naphthalen-1-y loxyacetyl)hydrazinyl]-4-oxobutanamide
- MW: 419.473 | Formula: C24H25N3O4
-
H donors: 3
H acceptors: 3
LogP: 3.47
Rotable bonds: 11
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(CCC(=O)Nc1ccc(cc1C)C)NNC(=O)COc1cccc2c1cccc2
- InChi: 1S/C24H25N3O4/c1-16-10-11-20(17(2)14-16)25-22(28)12-13-23(29)26-27-24(30)15-31-21-9-5-7-18-6-3-4-8-19(18)21/h3-11,14H,12-13,15H2,1-2H3,(H,25,28)(H,26,29)(H,27,30)
- InChiKey: SITWWWITFPQGBQ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(2,4-dimethylphenyl)-4-[N'-[2-(1-naphthyloxy)acetyl]hydrazino]-4-oxo-butanamide
- N-(2,4-dimethylphenyl)-4-[N'-[2-(1-naphthyloxy)-1-oxoethyl]hydrazino]-4-oxobutanamide
- N-(2,4-dimethylphenyl)-4-keto-4-[N'-[2-(1-naphthyloxy)acetyl]hydrazino]butyramide
- N-(2,4-dimethylphenyl)-4-(2-(2-naphthalen-1-yloxyethanoyl)hydrazinyl)-4-oxo-butanamide
- MLS000538762
- N-(2,4-dimethylphenyl)-4-{2-[(1-naphthyloxy)acetyl]hydrazino}-4-oxobutanamide
- SMR000160623
- ST040090
- AN-329/41328656
- ZINC02135166
- ARONIS002738
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 | euchromatic histone-lysine N-methyltransferase 2 | Starlite/ChEMBL | No references |
| Homo sapiens | flap structure-specific endonuclease 1 | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | 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 |
|---|---|---|---|---|---|
| Trypanosoma brucei | exonuclease, putative | flap structure-specific endonuclease 1 | 380 aa | 322 aa | 24.5 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Toxoplasma gondii | flap structure-specific endonuclease 1, putative | 0.0031 | 0.0896 | 0.8449 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.2507 | 1 |
| Echinococcus granulosus | flap endonuclease 1 | 0.0031 | 0.0896 | 0.3574 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2507 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.2507 | 0.2862 |
| Schistosoma mansoni | histone-lysine n-methyltransferase suv9 | 0.0036 | 0.106 | 0.423 |
| Schistosoma mansoni | flap endonuclease-1 | 0.0028 | 0.0788 | 0.3143 |
| Brugia malayi | Pre-SET motif family protein | 0.0251 | 0.8758 | 1 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.2507 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2507 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1325 | 1 |
| Echinococcus granulosus | histone lysine methyltransferase setb | 0.0036 | 0.106 | 0.423 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.2507 | 0.2862 |
| Echinococcus multilocularis | histone lysine N methyltransferase SETMAR | 0.0036 | 0.106 | 0.423 |
| Loa Loa (eye worm) | flap endonuclease-1 | 0.0031 | 0.0896 | 0.1023 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.1325 | 0.5286 |
| Brugia malayi | Flap endonuclease-1 | 0.0031 | 0.0896 | 0.1023 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.1325 | 0.5286 |
| Plasmodium vivax | SET domain protein, putative | 0.0036 | 0.106 | 1 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.1325 | 0.5286 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2507 | 1 |
| Trichomonas vaginalis | flap endonuclease-1, putative | 0.0031 | 0.0896 | 0.0896 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.2507 | 0.2862 |
| Giardia lamblia | Flap structure-specific endonuclease | 0.0031 | 0.0896 | 1 |
| Toxoplasma gondii | histone lysine methyltransferase SET/SUV39 | 0.0036 | 0.106 | 1 |
| Plasmodium vivax | flap endonuclease 1, putative | 0.0031 | 0.0896 | 0.8449 |
| Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0036 | 0.106 | 0.423 |
| Echinococcus multilocularis | histone lysine methyltransferase setb histone lysine methyltransferase eggless | 0.0036 | 0.106 | 0.423 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1325 | 1 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.1325 | 0.1513 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.2507 | 0.2862 |
| Leishmania major | flap endonuclease-1 (FEN-1), putative | 0.0031 | 0.0896 | 1 |
| Brugia malayi | Pre-SET motif family protein | 0.0036 | 0.106 | 0.1211 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2507 | 1 |
| Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0036 | 0.106 | 0.423 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.1325 | 0.5286 |
| Trypanosoma cruzi | flap endonuclease-1 (FEN-1), putative | 0.0031 | 0.0896 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0036 | 0.106 | 0.1211 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1325 | 1 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.2507 | 0.2862 |
| Loa Loa (eye worm) | pre-SET domain-containing protein family protein | 0.0251 | 0.8758 | 1 |
| Echinococcus granulosus | 5'partial|histone lysine N methyltransferase SETDB2 | 0.0035 | 0.1013 | 0.4041 |
| Trichomonas vaginalis | set domain proteins, putative | 0.0286 | 1 | 1 |
| Echinococcus multilocularis | flap endonuclease 1 | 0.0031 | 0.0896 | 0.3574 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.2507 | 0.2862 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2507 | 1 |
| Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0036 | 0.106 | 0.423 |
| Entamoeba histolytica | Flap nuclease, putative | 0.0031 | 0.0896 | 0.6762 |
| Trypanosoma brucei | flap endonuclease-1 (FEN-1), putative | 0.0031 | 0.0896 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1325 | 1 |
| Plasmodium falciparum | flap endonuclease 1 | 0.0031 | 0.0896 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.0586 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) | 0.1413 uM | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] | ChEMBL. | No reference |
| Potency (functional) | 0.2818 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | 3.5481 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 6.5131 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | 10.4179 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) | 22.3872 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) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] | ChEMBL. | No reference |
| Potency (functional) | 31.6228 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) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | 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 of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | 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: CHEMBL1502007
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.