Detailed information for compound 1630910
Basic information
Technical information
- TDR Targets ID: 1630910
- Name: N-methyl-5-phenyl-2H-pyrazole-3-carboxamide
- MW: 201.225 | Formula: C11H11N3O
-
H donors: 2
H acceptors: 2
LogP: 1.49
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: CNC(=O)c1n[nH]c(c1)c1ccccc1
- InChi: 1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14)
- InChiKey: JNPCKQOIIRKYRO-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | CDC-like kinase 4 | Starlite/ChEMBL | No references |
| Homo sapiens | glycogen synthase kinase 3 beta | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Entamoeba histolytica | protein kinase domain containing protein | 0.0059 | 0 | 0.5 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0074 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0072 | 0.9257 | 0.9257 |
| Plasmodium falciparum | protein serine/threonine kinase-1 | 0.0074 | 1 | 1 |
| Echinococcus multilocularis | dual specificity protein kinase clk2 | 0.0074 | 1 | 1 |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 10, putative | 0.0074 | 1 | 1 |
| Entamoeba histolytica | protein kinase domain containing protein | 0.0059 | 0 | 0.5 |
| Trypanosoma brucei | kinetoplastid kinetochore protein 10 | 0.0074 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0074 | 1 | 1 |
| Echinococcus granulosus | dual specificity protein kinase clk2 | 0.0074 | 1 | 1 |
| Echinococcus multilocularis | 0.0072 | 0.9257 | 0.9257 | |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 19, putative | 0.0074 | 1 | 1 |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 10, putative | 0.0074 | 1 | 1 |
| Plasmodium vivax | serine/threonine kinase-1, putative | 0.0074 | 1 | 1 |
| Toxoplasma gondii | cell-cycle-associated protein kinase CLK, putative | 0.0074 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0074 | 1 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0059 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0072 | 0.9257 | 0.9257 |
| Leishmania major | protein kinase, putative | 0.0074 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/CLK protein kinase | 0.0074 | 1 | 1 |
| Trypanosoma brucei | kinetoplastid kinetochore protein 19 | 0.0074 | 1 | 1 |
| Giardia lamblia | Kinase, CMGC CLK | 0.0074 | 1 | 1 |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 19, putative | 0.0074 | 1 | 1 |
| Leishmania major | protein kinase, putative | 0.0074 | 1 | 1 |
| Onchocerca volvulus | 0.0059 | 0 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Ki (functional) | > 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCQ | ChEMBL. | No reference |
| Ki (functional) | > 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSF1R | ChEMBL. | No reference |
| Ki (functional) | = 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK14 | ChEMBL. | No reference |
| Ki (functional) | = 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1B | ChEMBL. | No reference |
| Ki (functional) | = 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LIMK1 | ChEMBL. | No reference |
| Ki (functional) | > 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KDR | ChEMBL. | No reference |
| Ki (functional) | > 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1D | ChEMBL. | No reference |
| Ki (functional) | = 4.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET | ChEMBL. | No reference |
| Ki (functional) | = 4.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KA3 | ChEMBL. | No reference |
| Ki (functional) | > 4.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1A | ChEMBL. | No reference |
| Ki (functional) | = 4.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM1 | ChEMBL. | No reference |
| Ki (functional) | = 4.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK12 | ChEMBL. | No reference |
| Ki (functional) | > 4.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK6 | ChEMBL. | No reference |
| Ki (functional) | = 4.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDGFRB | ChEMBL. | No reference |
| Ki (functional) | = 4.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDGFRA | ChEMBL. | No reference |
| Ki (functional) | > 4.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK9 | ChEMBL. | No reference |
| Ki (functional) | = 4.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LRRK2 | ChEMBL. | No reference |
| Ki (functional) | = 4.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK1 | ChEMBL. | No reference |
| Ki (functional) | = 4.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK5 | ChEMBL. | No reference |
| Ki (functional) | > 4.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKACA | ChEMBL. | No reference |
| Ki (functional) | = 4.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TYRO3 | ChEMBL. | No reference |
| Ki (functional) | = 4.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4 | ChEMBL. | No reference |
| Ki (functional) | = 6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3B | 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: CHEMBL1995916
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.