Detailed information for compound 1424169
Basic information
Technical information
- TDR Targets ID: 1424169
- Name: N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidi ne-4-carboxamide
- MW: 310.393 | Formula: C18H22N4O
-
H donors: 1
H acceptors: 3
LogP: 2.3
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(C1CCN(CC1)c1cnccn1)Nc1cc(C)cc(c1)C
- InChi: 1S/C18H22N4O/c1-13-9-14(2)11-16(10-13)21-18(23)15-3-7-22(8-4-15)17-12-19-5-6-20-17/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,23)
- InChiKey: QAPLVIGWOYYAQK-UHFFFAOYSA-N
Network
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Synonyms
- N-(3,5-dimethylphenyl)-1-pyrazin-2-yl-piperidine-4-carboxamide
- N-(3,5-dimethylphenyl)-1-(2-pyrazinyl)-4-piperidinecarboxamide
- N-(3,5-dimethylphenyl)-1-pyrazin-2-yl-isonipecotamide
- MLS000660773
- SMR000310291
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Toxoplasma gondii | intraflagellar transport protein 172, putative | glycoprotein hormones, alpha polypeptide | 116 aa | 94 aa | 26.6 % |
| Brugia malayi | Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X | geminin, DNA replication inhibitor | 209 aa | 176 aa | 27.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | TAR-binding protein | 0.0071 | 0.2164 | 0.237 |
| Echinococcus granulosus | serine:threonine protein kinase TAO1 | 0.019 | 0.9132 | 0.9132 |
| Loa Loa (eye worm) | hypothetical protein | 0.0109 | 0.4367 | 0.4782 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0109 | 0.4367 | 0.4782 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.2164 | 0.2164 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.2164 | 0.2164 |
| Loa Loa (eye worm) | STE/STE20/TAO protein kinase | 0.019 | 0.9132 | 1 |
| Brugia malayi | Serine/threonine-protein kinase SULU | 0.019 | 0.9132 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0074 | 0.2346 | 0.2346 |
| Brugia malayi | hypothetical protein | 0.019 | 0.9132 | 1 |
| Echinococcus multilocularis | serine:threonine protein kinase TAO1 | 0.019 | 0.9132 | 0.9132 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0071 | 0.2164 | 0.2164 |
| Echinococcus multilocularis | geminin | 0.0205 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.019 | 0.9132 | 0.9132 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.2164 | 0.2164 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.2164 | 0.2164 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0071 | 0.2164 | 0.237 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0109 | 0.4367 | 0.4782 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 1 | 1 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0071 | 0.2164 | 0.237 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0074 | 0.2346 | 0.2569 |
| Echinococcus granulosus | tar DNA binding protein | 0.0071 | 0.2164 | 0.2164 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.2164 | 0.2164 |
| Brugia malayi | RNA binding protein | 0.0071 | 0.2164 | 0.237 |
| Loa Loa (eye worm) | RNA binding protein | 0.0071 | 0.2164 | 0.237 |
| Loa Loa (eye worm) | hypothetical protein | 0.0074 | 0.2346 | 0.2569 |
| Brugia malayi | TAR-binding protein | 0.0071 | 0.2164 | 0.237 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0109 | 0.4367 | 0.4782 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.0522 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) | 0.7308 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (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: CHEMBL1560436
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.