Detailed information for compound 1367271
Basic information
Technical information
- TDR Targets ID: 1367271
- Name: N-(4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazo lo[5,1-b]pyrimidin-7-yl)piperidine-3-carboxam ide
- MW: 366.417 | Formula: C19H22N6O2
-
H donors: 1
H acceptors: 4
LogP: 2.25
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1)NC(=O)C1CCCN(C1)c1cc(C)nc2n1ncn2
- InChi: 1S/C19H22N6O2/c1-13-10-17(25-19(22-13)20-12-21-25)24-9-3-4-14(11-24)18(26)23-15-5-7-16(27-2)8-6-15/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H,23,26)
- InChiKey: CJNVUCPBAUWJME-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[5,1-b]pyrimidin-7-yl)-3-piperidinecarboxamide
- N-(4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[5,1-b]pyrimidin-7-yl)nipecotamide
- MLS000765113
- SMR000288518
- ASN 07103863
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Mus musculus | RAR-related orphan receptor gamma | 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 |
|---|---|---|---|---|---|
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.0751 | 0.0751 |
| Echinococcus multilocularis | sterol regulatory element binding protein | 0.0129 | 0.3736 | 0.3736 |
| Echinococcus multilocularis | protein patched | 0.0129 | 0.3736 | 0.3736 |
| Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.0313 | 1 | 0.5 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.0751 | 0.0751 |
| Echinococcus multilocularis | hydroxymethylglutaryl coenzyme A reductase | 0.0313 | 1 | 1 |
| Giardia lamblia | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 0.0147 | 0.4348 | 0.5 |
| Schistosoma mansoni | hydroxymethylglutaryl-CoA reductase (NADPH) | 0.0313 | 1 | 1 |
| Mycobacterium ulcerans | hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase | 0.0313 | 1 | 0.5 |
| Echinococcus granulosus | Niemann Pick C1 protein | 0.0129 | 0.3736 | 0.3736 |
| Leishmania major | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.0313 | 1 | 0.5 |
| Loa Loa (eye worm) | abnormal chemotaxis protein 14 | 0.0129 | 0.3736 | 0.3736 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.1398 | 0.1398 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.0147 | 0.4348 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.1398 | 0.1398 |
| Echinococcus granulosus | Protein patched homolog 1 | 0.0129 | 0.3736 | 0.3736 |
| Schistosoma mansoni | patched 1 | 0.0129 | 0.3736 | 0.3736 |
| Brugia malayi | CHE-14 protein | 0.0129 | 0.3736 | 0.3736 |
| Loa Loa (eye worm) | hypothetical protein | 0.0313 | 1 | 1 |
| Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.0313 | 1 | 0.5 |
| Trypanosoma brucei | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.0313 | 1 | 0.5 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.0147 | 0.4348 | 1 |
| Echinococcus multilocularis | protein dispatched 1 | 0.0129 | 0.3736 | 0.3736 |
| Schistosoma mansoni | niemann-pick C1 (NPC1) | 0.0129 | 0.3736 | 0.3736 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.1398 | 0.1398 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.1398 | 0.1398 |
| Loa Loa (eye worm) | hypothetical protein | 0.0129 | 0.3736 | 0.3736 |
| Echinococcus granulosus | sterol regulatory element binding protein | 0.0129 | 0.3736 | 0.3736 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.0147 | 0.4348 | 1 |
| Echinococcus multilocularis | Niemann Pick C1 protein | 0.0129 | 0.3736 | 0.3736 |
| Echinococcus granulosus | hydroxymethylglutaryl coenzyme A reductase | 0.0313 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.0751 | 0.0751 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 18.526 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) | 84.9214 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 100 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 112.2018 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | 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: CHEMBL1497974
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.