Detailed information for compound 721819
Basic information
Technical information
- TDR Targets ID: 721819
- Name: 2-methyl-N-(2-methylphenyl)-2,3-dihydroindole -1-carboxamide
- MW: 266.338 | Formula: C17H18N2O
-
H donors: 1
H acceptors: 1
LogP: 3.5
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1ccccc1NC(=O)N1C(C)Cc2c1cccc2
- InChi: 1S/C17H18N2O/c1-12-7-3-5-9-15(12)18-17(20)19-13(2)11-14-8-4-6-10-16(14)19/h3-10,13H,11H2,1-2H3,(H,18,20)
- InChiKey: CHTPXXVLRYNHAN-UHFFFAOYSA-N
Network
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Synonyms
- 2-methyl-N-(2-methylphenyl)indoline-1-carboxamide
- 2-methyl-N-(2-methylphenyl)-1-indolinecarboxamide
- MLS000674406
- SMR000297372
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | polo-like kinase 1 | 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 |
|---|---|---|---|---|
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 0.5 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0093 | 0.622 | 0.622 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0114 | 1 | 1 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.0093 | 0.622 | 0.622 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.0093 | 0.622 | 0.622 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 0.5 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0093 | 0.622 | 0.622 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.0093 | 0.622 | 0.622 |
| Echinococcus multilocularis | serine:threonine protein kinase PLK1 | 0.0114 | 1 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 0.5 |
| Trypanosoma brucei | polo-like protein kinase | 0.0114 | 1 | 0.5 |
| Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0114 | 1 | 0.5 |
| Giardia lamblia | Kinase, PLK | 0.0114 | 1 | 0.5 |
| Onchocerca volvulus | Serine\/threonine kinase homolog | 0.0114 | 1 | 1 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.0093 | 0.622 | 0.622 |
| Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0114 | 1 | 0.5 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0093 | 0.622 | 0.622 |
| Echinococcus granulosus | serine:threonine protein kinase PLK1 | 0.0114 | 1 | 1 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.0093 | 0.622 | 0.622 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 1 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 0.5 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0093 | 0.622 | 0.622 |
| Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.0114 | 1 | 1 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.0093 | 0.622 | 0.622 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.0093 | 0.622 | 0.622 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 1 | 0.5 |
| Schistosoma mansoni | coup transcription factor | 0.0093 | 0.622 | 0.622 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 1 | 0.5 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.0093 | 0.622 | 0.622 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1.8526 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) | 4.2284 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 (binding) | = 28.1838 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) | 37.933 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 |
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: CHEMBL1330541
- Search by Saint Jude
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.