Detailed information for compound 1447508
Basic information
Technical information
- TDR Targets ID: 1447508
- Name: 4-bromo-N-(2-ethoxyphenyl)-2-methylpyrazole-3 -carboxamide
- MW: 324.173 | Formula: C13H14BrN3O2
-
H donors: 1
H acceptors: 2
LogP: 2.43
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: CCOc1ccccc1NC(=O)c1c(Br)cnn1C
- InChi: 1S/C13H14BrN3O2/c1-3-19-11-7-5-4-6-10(11)16-13(18)12-9(14)8-15-17(12)2/h4-8H,3H2,1-2H3,(H,16,18)
- InChiKey: GSQSVLMVXISTGV-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 4-bromo-N-(2-ethoxyphenyl)-2-methyl-pyrazole-3-carboxamide
- 4-bromo-N-(2-ethoxyphenyl)-2-methyl-3-pyrazolecarboxamide
- Oprea1_084431
- AK-968/11990234
- 4-bromo-N-(2-ethoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
- MLS000699186
- SMR000227214
- ZINC00483367
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 | GNAS complex locus | Starlite/ChEMBL | No references |
| Homo sapiens | ataxin 2 | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | 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 |
|---|---|---|---|---|---|
| Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.688 | 0.5 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.688 | 0.4799 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 1 | 1 |
| Toxoplasma gondii | LsmAD domain-containing protein | 0.003 | 0.3438 | 0.5 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.4001 | 0.4001 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.3843 | 0.3843 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 0.4001 | 0.5 | |
| Trypanosoma brucei | PAB1-binding protein , putative | 0.003 | 0.3438 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.688 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.003 | 0.3438 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.688 | 0.5 |
| Plasmodium vivax | ataxin-2 like protein, putative | 0.003 | 0.3438 | 0.5 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 0.3438 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.688 | 0.688 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 0.3438 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.003 | 0.3438 | 0.3438 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.688 | 0.4799 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.4001 | 0.4001 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.002 | 0.0584 | 0.0584 |
| Brugia malayi | hypothetical protein | 0.003 | 0.3438 | 0.3438 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0.3438 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.4001 | 0.4001 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.4001 | 0.4001 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 1 | 1 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.4001 | 0.4001 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 1 | 1 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.688 | 0.4799 |
| Onchocerca volvulus | 0.0033 | 0.4001 | 0.5 | |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.688 | 0.5 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.688 | 0.4799 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0.3438 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 2.3323 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) | 10 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS of Nrf2 Activators. (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: CHEMBL1597011
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.