Detailed information for compound 1446196

Basic information

Technical information
  • TDR Targets ID: 1446196
  • Name: 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl] -5-methylpyrazolo[1,5-a]pyrimidine-3-carboxam ide
  • MW: 334.296 | Formula: C16H13F3N4O
  • H donors: 1 H acceptors: 3 LogP: 2.25 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CNC(=O)c1cnn2c1nc(C)cc2C(F)F
  • InChi: 1S/C16H13F3N4O/c1-9-6-13(14(18)19)23-15(22-9)12(8-21-23)16(24)20-7-10-2-4-11(17)5-3-10/h2-6,8,14H,7H2,1H3,(H,20,24)
  • InChiKey: LMJXYGBRWFRVAY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide
  • 7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • 7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
  • MLS000675379
  • SMR000293230
  • ZINC00616773

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
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
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0166 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0166 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0118 0.6643 0.5922
Mycobacterium ulcerans oxidoreductase 0.0166 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0048 0.1768 0.1768
Echinococcus granulosus aldehyde reductase 0.0118 0.6643 0.6643
Toxoplasma gondii aldo-keto reductase 0.0048 0.1768 0.1768
Onchocerca volvulus 0.0166 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0048 0.1768 0.1768
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0166 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.129 0.129
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0166 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2622 0.2622
Onchocerca volvulus 0.0166 1 1
Schistosoma mansoni aldo-keto reductase 0.0166 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Trypanosoma brucei prostaglandin f synthase 0.0166 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0166 1 1
Entamoeba histolytica aldose reductase, putative 0.0166 1 1
Echinococcus granulosus aldo keto reductase 0.0166 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0166 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0166 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.129 0.129
Onchocerca volvulus 0.0166 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0166 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0166 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0048 0.1768 0.1768
Echinococcus granulosus aldo keto reductase 0.0166 1 1
Echinococcus multilocularis aldehyde reductase 0.0118 0.6643 0.6643
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0166 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0166 1 1
Echinococcus multilocularis aldo keto reductase 0.0166 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0048 0.1768 0.1768
Loa Loa (eye worm) hypothetical protein 0.006 0.2622 0.2622
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Loa Loa (eye worm) oxidoreductase 0.0166 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0048 0.1768 0.1768
Trypanosoma cruzi aldo/keto reductase, putative 0.0166 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0166 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0166 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0166 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0048 0.1768 0.1768
Schistosoma mansoni potassium channel beta 0.0048 0.1768 0.1768
Giardia lamblia Aldose reductase 0.0166 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0048 0.1768 0.1768
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.129 0.129
Schistosoma mansoni pol-related 0.0166 1 1
Echinococcus granulosus hypothetical protein 0.0166 1 1
Schistosoma mansoni aldo-keto reductase 0.0166 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0048 0.1768 0.1768
Loa Loa (eye worm) oxidoreductase 0.0166 1 1
Entamoeba histolytica aldose reductase, putative 0.0166 1 1
Mycobacterium ulcerans hypothetical protein 0.0048 0.1768 0.1768
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.1768 0.1768
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0048 0.1768 0.1768
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0166 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0166 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0166 1 1
Onchocerca volvulus 0.0166 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0166 1 1
Loa Loa (eye worm) oxidoreductase 0.0166 1 1
Leishmania major aldo-keto reductase-like protein 0.0166 1 1
Loa Loa (eye worm) oxidoreductase 0.0166 1 1
Loa Loa (eye worm) hypothetical protein 0.0166 1 1
Echinococcus granulosus aldo keto reductase 0.0166 1 1
Onchocerca volvulus 0.0166 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0166 1 1
Toxoplasma gondii aldose reductase, putative 0.0166 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0048 0.1768 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0166 1 1
Trypanosoma cruzi aldo-keto reductase 0.0166 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0048 0.1768 0.1768
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0166 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0166 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0166 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Entamoeba histolytica aldose reductase, putative 0.0166 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0048 0.1768 0.1768
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0048 0.1768 1
Echinococcus multilocularis aldo keto reductase 0.0166 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0048 0.1768 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0166 1 1
Plasmodium vivax aldehyde reductase, putative 0.0048 0.1768 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0166 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2622 0.2622
Entamoeba histolytica alcohol dehydrogenase, putative 0.0048 0.1768 0.1768
Trichomonas vaginalis aldo-keto reductase, putative 0.0166 1 1
Echinococcus multilocularis aldo keto reductase 0.0166 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0166 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0166 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0048 0.1768 0.1768
Mycobacterium tuberculosis Conserved protein 0.0048 0.1768 0.1768
Giardia lamblia Aldose reductase 0.0166 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2622 0.2622
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0166 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0048 0.1768 0.1768
Onchocerca volvulus 0.0166 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0048 0.1768 0.1768
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0166 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0166 1 1
Brugia malayi NADH-dependent xylose reductase 0.0048 0.1768 0.1768
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0048 0.1768 0.1768
Trypanosoma brucei aldo-keto reductase, putative 0.0166 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0166 1 1
Leishmania major prostaglandin f synthase, putative 0.0166 1 1
Echinococcus multilocularis aldo keto reductase 0.0166 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0166 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0166 1 1
Loa Loa (eye worm) oxidoreductase 0.0166 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0032 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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 (functional) 23.0999 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6294 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

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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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