Detailed information for compound 1281802

Basic information

Technical information
  • TDR Targets ID: 1281802
  • Name: N-(2,4-difluorophenyl)-3-[2-(2,4-dimethoxyphe nyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-y l]propanamide
  • MW: 466.48 | Formula: C25H24F2N4O3
  • H donors: 1 H acceptors: 3 LogP: 4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)OC)c1cc2n(n1)c(C)c(c(n2)C)CCC(=O)Nc1ccc(cc1F)F
  • InChi: 1S/C25H24F2N4O3/c1-14-18(8-10-25(32)29-21-9-5-16(26)11-20(21)27)15(2)31-24(28-14)13-22(30-31)19-7-6-17(33-3)12-23(19)34-4/h5-7,9,11-13H,8,10H2,1-4H3,(H,29,32)
  • InChiKey: YPRIJJPQZABALI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,4-difluorophenyl)-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
  • N-(2,4-difluorophenyl)-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]propanamide
  • N-(2,4-difluorophenyl)-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propionamide
  • C561-1418
  • NCGC00110249-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948

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
Echinococcus granulosus muscleblind protein 0.0175 0.4034 0.5524
Loa Loa (eye worm) oxidoreductase 0.0265 0.7304 1
Onchocerca volvulus 0.0265 0.7304 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0265 0.7304 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0265 0.7304 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0265 0.7304 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0265 0.7304 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0077 0.0479 0.0656
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0265 0.7304 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.022 0.5672 0.7766
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0265 0.7304 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0265 0.7304 1
Trypanosoma brucei aldo-keto reductase, putative 0.0265 0.7304 1
Echinococcus multilocularis aldehyde reductase 0.0188 0.4521 0.619
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0077 0.0479 0.0656
Echinococcus granulosus voltage gated potassium channel subunit 0.0077 0.0479 0.0656
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0265 0.7304 1
Trypanosoma cruzi aldo-keto reductase 0.0265 0.7304 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0265 0.7304 1
Loa Loa (eye worm) oxidoreductase 0.0265 0.7304 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0265 0.7304 1
Echinococcus multilocularis aldo keto reductase 0.0265 0.7304 1
Onchocerca volvulus 0.0265 0.7304 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.4034 0.5524
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0265 0.7304 1
Giardia lamblia Aldose reductase 0.0265 0.7304 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0265 0.7304 1
Plasmodium falciparum aldo-keto reductase, putative 0.0077 0.0479 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0265 0.7304 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7775 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.022 0.5672 0.7766
Schistosoma mansoni potassium channel beta 0.0077 0.0479 0.0479
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0265 0.7304 1
Toxoplasma gondii aldose reductase, putative 0.0265 0.7304 1
Schistosoma mansoni aldo-keto reductase 0.0265 0.7304 0.7304
Echinococcus multilocularis aldo keto reductase 0.0265 0.7304 1
Onchocerca volvulus 0.0265 0.7304 1
Echinococcus multilocularis aldo keto reductase 0.0265 0.7304 1
Plasmodium vivax aldehyde reductase, putative 0.0077 0.0479 0.5
Entamoeba histolytica aldose reductase, putative 0.0265 0.7304 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0077 0.0479 0.0656
Leishmania major prostaglandin f synthase, putative 0.0265 0.7304 1
Echinococcus granulosus aldehyde reductase 0.0188 0.4521 0.619
Plasmodium falciparum aldehyde reductase, putative 0.0077 0.0479 0.5
Onchocerca volvulus 0.0265 0.7304 1
Brugia malayi Muscleblind-like protein 0.0175 0.4034 0.5524
Trypanosoma cruzi aldo/keto reductase, putative 0.0265 0.7304 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0077 0.0479 0.0656
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Echinococcus multilocularis muscleblind protein 1 0.0175 0.4034 0.5524
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0265 0.7304 1
Onchocerca volvulus 0.0265 0.7304 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Schistosoma mansoni aldo-keto reductase 0.0265 0.7304 0.7304
Loa Loa (eye worm) oxidoreductase 0.0265 0.7304 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Brugia malayi NADH-dependent xylose reductase 0.0077 0.0479 0.0656
Echinococcus granulosus aldo keto reductase 0.0265 0.7304 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0265 0.7304 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.7304 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0265 0.7304 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0265 0.7304 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.4034 0.5524
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0265 0.7304 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0265 0.7304 1
Mycobacterium leprae Conserved hypothetical protein 0.0188 0.4521 0.5922
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0265 0.7304 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0265 0.7304 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Entamoeba histolytica aldose reductase, putative 0.0265 0.7304 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0265 0.7304 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0265 0.7304 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0265 0.7304 1
Mycobacterium ulcerans oxidoreductase 0.0265 0.7304 1
Trypanosoma brucei prostaglandin f synthase 0.0265 0.7304 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0077 0.0479 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0265 0.7304 1
Echinococcus multilocularis muscleblind protein 0.0175 0.4034 0.5524
Schistosoma mansoni pol-related 0.0265 0.7304 0.7304
Echinococcus granulosus hypothetical protein 0.0265 0.7304 1
Giardia lamblia Aldose reductase 0.0265 0.7304 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0265 0.7304 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Loa Loa (eye worm) oxidoreductase 0.0265 0.7304 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0265 0.7304 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0265 0.7304 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0265 0.7304 1
Onchocerca volvulus 0.0265 0.7304 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0265 0.7304 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0265 0.7304 1
Echinococcus granulosus aldo keto reductase 0.0265 0.7304 1
Loa Loa (eye worm) oxidoreductase 0.0265 0.7304 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0265 0.7304 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0265 0.7304 1
Leishmania major aldo-keto reductase-like protein 0.0265 0.7304 1
Echinococcus granulosus aldo keto reductase 0.0265 0.7304 1
Entamoeba histolytica aldose reductase, putative 0.0265 0.7304 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0265 0.7304 0.9355
Echinococcus multilocularis aldo keto reductase 0.0265 0.7304 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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