Detailed information for compound 1234736
Basic information
Technical information
- TDR Targets ID: 1234736
- Name: N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl) -6-oxopyridazin-1-yl]acetamide
- MW: 363.41 | Formula: C21H21N3O3
-
H donors: 1
H acceptors: 2
LogP: 3.05
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)Nc1ccc(cc1C)C
- InChi: 1S/C21H21N3O3/c1-14-4-9-18(15(2)12-14)22-20(25)13-24-21(26)11-10-19(23-24)16-5-7-17(27-3)8-6-16/h4-12H,13H2,1-3H3,(H,22,25)
- InChiKey: LRZLGAAEGWKLMC-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]acetamide
- N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]acetamide
- N-(2,4-dimethylphenyl)-2-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]acetamide
- N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]ethanamide
- K788-4136
- NCGC00140459-01
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | ataxin 2 | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Equus caballus | Ferritin light chain | 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 |
|---|---|---|---|---|---|
| Echinococcus multilocularis | expressed protein | Ferritin light chain | 175 aa | 146 aa | 30.1 % |
| Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
| Echinococcus granulosus | expressed protein | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
| Schistosoma japonicum | Ferritin, putative | Ferritin light chain | 175 aa | 144 aa | 24.3 % |
| Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 142 aa | 29.6 % |
| Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 43.9 % |
| Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 44.4 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trypanosoma brucei | PAB1-binding protein , putative | 0.003 | 0.8593 | 0.5 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Echinococcus multilocularis | lamin | 0.0033 | 1 | 0.5 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 1 | 0.5 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 0.8593 | 0.5 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.003 | 0.8593 | 0.8593 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.9606 | 0.9606 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | lamin | 0.0033 | 1 | 0.5 |
| Echinococcus granulosus | lamin | 0.0033 | 1 | 0.5 |
| Schistosoma mansoni | intermediate filament proteins | 0.0033 | 1 | 0.5 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 1 | 0.5 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | musashi | 0.0033 | 1 | 0.5 |
| Plasmodium vivax | ataxin-2 like protein, putative | 0.003 | 0.8593 | 0.5 |
| Schistosoma mansoni | lamin | 0.0033 | 1 | 0.5 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 1 | 1 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0.8593 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.003 | 0.8593 | 0.5 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 0.8593 | 0.5 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Brugia malayi | hypothetical protein | 0.002 | 0.1458 | 0.1458 |
| Toxoplasma gondii | LsmAD domain-containing protein | 0.003 | 0.8593 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0.8593 | 0.5 |
| Brugia malayi | hypothetical protein | 0.003 | 0.8593 | 0.8593 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.0224 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 7.9433 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) | 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: CHEMBL1315568
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.