Detailed information for compound 1430142
Basic information
Technical information
- TDR Targets ID: 1430142
- Name: 7-(difluoromethyl)-N-[4-(morpholine-4-carbony l)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3 -carboxamide
- MW: 477.463 | Formula: C25H21F2N5O3
-
H donors: 1
H acceptors: 4
LogP: 2.56
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(c1cnn2c1nc(cc2C(F)F)c1ccccc1)Nc1ccc(cc1)C(=O)N1CCOCC1
- InChi: 1S/C25H21F2N5O3/c26-22(27)21-14-20(16-4-2-1-3-5-16)30-23-19(15-28-32(21)23)24(33)29-18-8-6-17(7-9-18)25(34)31-10-12-35-13-11-31/h1-9,14-15,22H,10-13H2,(H,29,33)
- InChiKey: ROHVRWIPJVFLKL-UHFFFAOYSA-N
Network
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Synonyms
- 7-(difluoromethyl)-N-[4-(morpholine-4-carbonyl)phenyl]-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
- 7-(difluoromethyl)-N-[4-(morpholino-oxomethyl)phenyl]-5-phenyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide
- 7-(difluoromethyl)-N-(4-morpholin-4-ylcarbonylphenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
- 7-(difluoromethyl)-N-[4-(4-morpholinylcarbonyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
- MLS000661956
- SMR000293223
- STK332346
- AK-968/41024879
- ZINC04174506
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D | Starlite/ChEMBL | No references |
| 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 |
|---|---|---|---|---|
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.0127 | 0.0199 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.0127 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0232 | 0.641 | 1 |
| Entamoeba histolytica | hydrolase, alpha/beta fold family domain containing protein | 0.0232 | 0.641 | 1 |
| Echinococcus granulosus | fatty acid amide hydrolase 1 | 0.0338 | 1 | 1 |
| Trichomonas vaginalis | Clan SC, family S33, methylesterase-like serine peptidase | 0.0232 | 0.641 | 1 |
| Plasmodium falciparum | lysophospholipase, putative | 0.0232 | 0.641 | 1 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.0127 | 0.0127 |
| Mycobacterium leprae | POSSIBLE LYSOPHOSPHOLIPASE | 0.0232 | 0.641 | 1 |
| Mycobacterium ulcerans | lysophospholipase | 0.0232 | 0.641 | 1 |
| Plasmodium falciparum | lysophospholipase, putative | 0.0232 | 0.641 | 1 |
| Trichomonas vaginalis | Clan SC, family S33, methylesterase-like serine peptidase | 0.0232 | 0.641 | 1 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0127 | 0.0199 |
| Mycobacterium tuberculosis | Possible lysophospholipase | 0.0232 | 0.641 | 1 |
| Schistosoma mansoni | amidase | 0.0338 | 1 | 1 |
| Echinococcus granulosus | fatty acid amide hydrolase 1 | 0.0338 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0182 | 0.4761 | 0.4761 |
| Trichomonas vaginalis | Clan SC, family S33, methylesterase-like serine peptidase | 0.0232 | 0.641 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0232 | 0.641 | 1 |
| Treponema pallidum | aspartyl/glutamyl-tRNA amidotransferase subunit A | 0.0041 | 0 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0232 | 0.641 | 1 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.0127 | 0.0127 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0127 | 0.0127 |
| Echinococcus multilocularis | fatty acid amide hydrolase 1 | 0.0338 | 1 | 1 |
| Trypanosoma brucei | monoglyceride lipase, putative | 0.0232 | 0.641 | 1 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.0127 | 0.0127 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0127 | 0.0127 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.0127 | 0.0127 |
| Trichomonas vaginalis | valacyclovir hydrolase, putative | 0.0232 | 0.641 | 1 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0127 | 0.0199 |
| Chlamydia trachomatis | glutamyl-tRNA(Gln) amidotransferase subunit A | 0.0041 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0338 | 1 | 1 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0127 | 0.0199 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0127 | 0.0199 |
| Onchocerca volvulus | 0.0182 | 0.4761 | 0.5 | |
| Trichomonas vaginalis | Clan SC, family S33, methylesterase-like serine peptidase | 0.0232 | 0.641 | 1 |
| Trichomonas vaginalis | Clan SC, family S33, methylesterase-like serine peptidase | 0.0232 | 0.641 | 1 |
| Schistosoma mansoni | fatty-acid amide hydrolase | 0.0338 | 1 | 1 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.0127 | 0.5 |
| Echinococcus multilocularis | fatty acid amide hydrolase 1 | 0.0338 | 1 | 1 |
| Leishmania major | monoglyceride lipase, putative | 0.0232 | 0.641 | 1 |
| Trypanosoma brucei | monoglyceride lipase, putative | 0.0232 | 0.641 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0182 | 0.4761 | 0.4761 |
| Entamoeba histolytica | hydrolase, alpha/beta fold family domain containing protein | 0.0232 | 0.641 | 1 |
| Trypanosoma cruzi | monoglyceride lipase, putative | 0.0232 | 0.641 | 1 |
| Plasmodium falciparum | lysophospholipase, putative | 0.0232 | 0.641 | 1 |
| Plasmodium vivax | PST-A protein | 0.0232 | 0.641 | 1 |
| Plasmodium falciparum | esterase, putative | 0.0232 | 0.641 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | > 260 uM | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493224] | ChEMBL. | No reference |
| Potency (functional) | = 6.3096 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) | 6.3096 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 6.5733 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) | 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) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 100 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: CHEMBL1579167
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.