Detailed information for compound 1254738
Basic information
Technical information
- TDR Targets ID: 1254738
- Name: 3-chloro-5-furan-2-yl-N-methyl-N-(2-pyridin-2 -ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]p yrimidine-2-carboxamide
- MW: 449.814 | Formula: C20H15ClF3N5O2
-
H donors: 0
H acceptors: 4
LogP: 3.35
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: CN(C(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1ccco1)CCc1ccccn1
- InChi: 1S/C20H15ClF3N5O2/c1-28(9-7-12-5-2-3-8-25-12)19(30)17-16(21)18-26-13(14-6-4-10-31-14)11-15(20(22,23)24)29(18)27-17/h2-6,8,10-11H,7,9H2,1H3
- InChiKey: ORXBNKXEHOUQRP-UHFFFAOYSA-N
Network
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Synonyms
- 3-chloro-5-(2-furyl)-N-methyl-N-[2-(2-pyridyl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 3-chloro-5-(2-furyl)-N-methyl-N-[2-(2-pyridyl)ethyl]-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
- BAS 01058478
- MLS000109270
- SMR000105215
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | ATPase family, AAA domain containing 5 | Starlite/ChEMBL | No references |
| Homo sapiens | glucosidase, beta, acid | Starlite/ChEMBL | No references |
| Homo sapiens | muscleblind-like splicing regulator 1 | Starlite/ChEMBL | No references |
| Homo sapiens | lysine (K)-specific demethylase 4E | 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 | glucosylceramidase, putative | 0.0312 | 0.2652 | 1 |
| Echinococcus multilocularis | muscleblind protein | 0.018 | 0.1204 | 0.1204 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 0.1204 | 0.1263 |
| Schistosoma mansoni | fructose-16-bisphosphatase-related | 0.0937 | 0.9538 | 1 |
| Brugia malayi | Muscleblind-like protein | 0.018 | 0.1204 | 0.1263 |
| Echinococcus granulosus | muscleblind protein | 0.018 | 0.1204 | 0.1263 |
| Toxoplasma gondii | fructose-bisphospatase II | 0.0937 | 0.9538 | 1 |
| Trypanosoma cruzi | fructose-1,6-bisphosphatase, cytosolic, putative | 0.0937 | 0.9538 | 1 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0216 | 0.1592 | 0.1027 |
| Leishmania major | 0.0937 | 0.9538 | 0.5 | |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0312 | 0.2652 | 1 |
| Loa Loa (eye worm) | fructose-1,6-bisphosphatase | 0.0937 | 0.9538 | 1 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0312 | 0.2652 | 1 |
| Trypanosoma cruzi | fructose-1,6-bisphosphatase, cytosolic, putative | 0.0937 | 0.9538 | 1 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0312 | 0.2652 | 1 |
| Echinococcus multilocularis | fructose 1,6 bisphosphatase 1 | 0.0937 | 0.9538 | 0.9538 |
| Brugia malayi | O-Glycosyl hydrolase family 30 protein | 0.0312 | 0.2652 | 0.278 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0312 | 0.2652 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 0.1204 | 0.1263 |
| Brugia malayi | fructose-1,6-bisphosphatase | 0.0937 | 0.9538 | 1 |
| Echinococcus multilocularis | muscleblind protein 1 | 0.018 | 0.1204 | 0.1204 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0216 | 0.1592 | 0.1027 |
| Loa Loa (eye worm) | O-glycosyl hydrolase family 30 protein | 0.0312 | 0.2652 | 0.278 |
| Trypanosoma brucei | fructose-1,6-bisphosphatase | 0.0937 | 0.9538 | 1 |
| Trichomonas vaginalis | glucosylceramidase, putative | 0.0312 | 0.2652 | 1 |
| Onchocerca volvulus | Glucosylceramidase homolog | 0.0205 | 0.1471 | 0.5 |
| Echinococcus granulosus | fructose 16 bisphosphatase 1 | 0.0937 | 0.9538 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 4.6535 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) | 5.6234 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] | ChEMBL. | No reference |
| Potency (binding) | 7.9433 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 8.1995 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
| Potency (functional) | 10.4179 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) | = 17.7828 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 18.3564 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 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) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 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) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | ChEMBL. | No reference |
| Potency (functional) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] | ChEMBL. | No reference |
| Potency (functional) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 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 |
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: CHEMBL1340227
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.