Detailed information for compound 1349532
Basic information
Technical information
- TDR Targets ID: 1349532
- Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazo lo[1,5-a]pyridin-2-ylmethanone
- MW: 334.415 | Formula: C20H22N4O
-
H donors: 0
H acceptors: 2
LogP: 3.18
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1ccc(c(c1)N1CCN(CC1)C(=O)c1cc2n(n1)cccc2)C
- InChi: 1S/C20H22N4O/c1-15-6-7-16(2)19(13-15)22-9-11-23(12-10-22)20(25)18-14-17-5-3-4-8-24(17)21-18/h3-8,13-14H,9-12H2,1-2H3
- InChiKey: PHLPOCDAFQJNKZ-UHFFFAOYSA-N
Network
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Synonyms
- [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-yl-methanone
- [4-(2,5-dimethylphenyl)-1-piperazinyl]-(2-pyrazolo[1,5-a]pyridinyl)methanone
- MLS000118418
- SMR000095359
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.0418 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.0418 | 1 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.0418 | 1 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.0418 | 1 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.0418 | 1 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.0418 | 1 |
| Plasmodium falciparum | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 0.143 | 1 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.0418 | 1 |
| Toxoplasma gondii | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative | 0.143 | 1 | 0.5 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.0418 | 1 |
| Mycobacterium leprae | PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS | 0.143 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.0107 | 0.2561 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.0418 | 1 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.0107 | 0.2561 |
| Mycobacterium ulcerans | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 0.143 | 1 | 0.5 |
| Treponema pallidum | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 0.143 | 1 | 0.5 |
| Onchocerca volvulus | 0.0033 | 0.0107 | 0.5 | |
| Wolbachia endosymbiont of Brugia malayi | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 0.143 | 1 | 0.5 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.0107 | 0.2561 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.0107 | 0.2561 |
| Mycobacterium tuberculosis | Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras | 0.0344 | 0.2311 | 0.5 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.0107 | 0.2561 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.0418 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.0103 | 0.246 |
| Plasmodium vivax | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative | 0.143 | 1 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.0418 | 1 |
| Onchocerca volvulus | 0.0033 | 0.0107 | 0.5 | |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.0418 | 1 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.0418 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| AC50 (binding) | = 176.94 uM | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterium tuberculosis UDP-galactopyranose mutase (UGM) enzyme Measured in Biochemical System Using Plate Reader - 2105-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504439] | ChEMBL. | No reference |
| AC50 (binding) | = 268.571 uM | PUBCHEM_BIOASSAY: C-LANA FP assay Measured in Biochemical System Using Plate Reader - 2117-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504431] | ChEMBL. | No reference |
| EC50 (binding) | = 33.72 um | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] | ChEMBL. | No reference |
| EC50 (binding) | = 72.922 um | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] | ChEMBL. | No reference |
| Max_Activity_Concent (functional) | 6 uM | PubChem BioAssay. Thermal shift assay to identify compound binding to Kelch domain of Keap1 protein Measured in Biochemical System Using RT-PCR - 2119-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Max_Concentration (binding) | 26 uM | PubChem BioAssay. Counterscreen to eliminate false positive from thermal shift assay Measured in Biochemical System Using Plate Reader - 2119-07_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 4.6535 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) | 9.285 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 16.3601 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] | ChEMBL. | No reference |
| Potency (functional) | 112.2018 uM | PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 112.2018 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 | ||
| Homo sapiens | 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: CHEMBL1439525
Bibliographic References
No literature references available for this target.
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