Detailed information for compound 792800
Basic information
Technical information
- TDR Targets ID: 792800
- Name: 4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl ]pyrazole-3-carboxamide
- MW: 317.694 | Formula: C13H11ClF3N3O
-
H donors: 1
H acceptors: 2
LogP: 3.21
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: CCn1cc(c(n1)C(=O)Nc1cccc(c1)C(F)(F)F)Cl
- InChi: 1S/C13H11ClF3N3O/c1-2-20-7-10(14)11(19-20)12(21)18-9-5-3-4-8(6-9)13(15,16)17/h3-7H,2H2,1H3,(H,18,21)
- InChiKey: YVRICIUDLNXNFA-UHFFFAOYSA-N
Network
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Synonyms
- 4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxamide
- ZINC01432202
- A3782/0160546
- 4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
- MLS000729385
- SMR000307663
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
| Homo sapiens | bromodomain adjacent to zinc finger domain, 2B | 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 | inositol monophosphatase 1 | 0.0045 | 0.2999 | 0.3527 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.2999 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7857 | 1 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.2999 | 0.3527 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.4049 | 0.4395 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7857 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.7857 | 0.8527 |
| Schistosoma mansoni | bromodomain containing protein | 0.0076 | 0.7844 | 0.9985 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.9213 | 1 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.7857 | 0.7673 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2814 | 0.3281 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.2822 | 0.3592 |
| Brugia malayi | Bromodomain containing protein | 0.0046 | 0.3249 | 0.2673 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.2822 | 0.3292 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0072 | 0.7186 | 0.9107 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.7857 | 0.8527 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7857 | 1 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.2999 | 0.5 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.2999 | 0.5 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.2999 | 0.5 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.7857 | 0.7673 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.2822 | 0.3592 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.2287 | 0.5 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.7857 | 1 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.2999 | 0.5 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.7857 | 1 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.2822 | 0.2209 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.2287 | 0.5 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0072 | 0.7186 | 0.9107 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.2999 | 0.3817 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.2999 | 0.5 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.2999 | 0.2401 |
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.3698 | 0.4014 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2814 | 0.3281 |
| Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0027 | 0.0351 | 0.0447 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7857 | 1 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.2999 | 0.5 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.2999 | 0.5 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.7857 | 0.7673 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.2999 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.3262 | 0.3541 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.2999 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7857 | 1 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.2999 | 0.5 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.2999 | 0.3817 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.2999 | 0.3255 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.7857 | 0.8527 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.2822 | 0.3292 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1.2589 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 2.6169 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) | 5.6234 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | 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) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | ChEMBL. | No reference |
| Potency (functional) | 11.2202 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) | 18.3564 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) | 29.9349 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 30.1313 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) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] | ChEMBL. | No reference |
| Potency (binding) | = 31.6228 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) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 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
| 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: CHEMBL1431447
- Search by Saint Jude
Bibliographic References
No literature references available for this target.
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