Detailed information for compound 1457061
Basic information
Technical information
- TDR Targets ID: 1457061
- Name: 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1- yl]-4,6-dimethylpyrimidine
- MW: 298.386 | Formula: C16H22N6
-
H donors: 0
H acceptors: 4
LogP: 2.47
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1nc(nc(c1)C)N1CCN(CC1)c1nc(C)cc(n1)C
- InChi: 1S/C16H22N6/c1-11-9-12(2)18-15(17-11)21-5-7-22(8-6-21)16-19-13(3)10-14(4)20-16/h9-10H,5-8H2,1-4H3
- InChiKey: UXTHGKBXHLKAMP-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-4,6-dimethyl-pyrimidine
- 2-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]-4,6-dimethylpyrimidine
- ZINC00181753
- STOCK1S-49522
- Oprea1_839317
- Peakdale1_001263
- Oprea1_126599
- MLS000079992
- SMR000034186
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Inositol monophosphatase 1 | 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 |
|---|---|---|---|---|
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0421 | 0.5 |
| Mycobacterium tuberculosis | Probable aminotransferase | 0.0151 | 1 | 1 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.0421 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.0421 | 0.5 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0421 | 0.5 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0421 | 0.5 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.0421 | 0.5 |
| Mycobacterium ulcerans | hypothetical protein | 0.0151 | 1 | 1 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0421 | 0.5 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.0421 | 0.5 |
| Trichomonas vaginalis | acetylornithine aminotransferase, putative | 0.0151 | 1 | 1 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0421 | 0.5 |
| Mycobacterium ulcerans | adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 0.0151 | 1 | 1 |
| Mycobacterium tuberculosis | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA | 0.0151 | 1 | 1 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.0421 | 0.5 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.0421 | 0.5 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0421 | 0.5 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.0421 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 14.1254 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) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | 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: CHEMBL1402634
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.