Detailed information for compound 1556490

Basic information

Technical information
  • TDR Targets ID: 1556490
  • Name: 3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-3H-pyr imidin-2-yl)pyrazol-3-yl]benzamide
  • MW: 327.313 | Formula: C16H14FN5O2
  • H donors: 2 H acceptors: 3 LogP: 1.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)C(=O)Nc1cc(nn1c1nc(C)cc(=O)[nH]1)C
  • InChi: 1S/C16H14FN5O2/c1-9-7-14(23)20-16(18-9)22-13(6-10(2)21-22)19-15(24)11-4-3-5-12(17)8-11/h3-8H,1-2H3,(H,19,24)(H,18,20,23)
  • InChiKey: UBIZGNFCTLTTAD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-3H-pyrimidin-2-yl)-3-pyrazolyl]benzamide
  • 3-fluoro-N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide
  • ZINC07418867

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0039 0.0107 0.081
Echinococcus granulosus valyl tRNA synthetase 0.0073 0.0509 0.0407
Trypanosoma brucei isoleucyl-tRNA synthetase, putative 0.0139 0.1315 1
Chlamydia trachomatis valine--tRNA ligase 0.0073 0.0509 0.3329
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0125 0.0747
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0194 0.1474
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0033 0.0029 0.0222
Loa Loa (eye worm) hypothetical protein 0.0056 0.0308 0.028
Giardia lamblia Isoleucyl-tRNA synthetase 0.0139 0.1315 1
Schistosoma mansoni isoleucine--tRNA ligase 0.0139 0.1315 0.1222
Brugia malayi valyl-tRNA synthetase family protein 0.0066 0.0426 0.2525
Mycobacterium tuberculosis Possible DNA glycosylase 0.0399 0.4481 1
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0039 0.0107 0.081
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0066 0.0426 0.069
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0154 0.1431
Trypanosoma brucei valyl-tRNA synthetase, putative 0.0073 0.0509 0.3224
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.0139 0.1315 0.1222
Schistosoma mansoni chromobox protein 0.0077 0.0567 0.0465
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0125 0.0952
Schistosoma mansoni inositol monophosphatase 0.0041 0.0125 0.0019
Entamoeba histolytica valyl tRNA synthetase, putative 0.0073 0.0509 0.3224
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative 0.0139 0.1315 1
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0125 0.0019
Trypanosoma brucei leucyl-tRNA synthetase, putative 0.0095 0.0788 0.5567
Echinococcus granulosus valyl tRNA synthetase 0.0073 0.0509 0.0407
Schistosoma mansoni valine-tRNA ligase 0.0073 0.0509 0.0407
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.0567 0.0539
Trypanosoma cruzi leucyl-tRNA synthetase, putative 0.0056 0.0308 0.2168
Onchocerca volvulus 0.0073 0.0509 0.5894
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0125 0.0952
Leishmania major leucyl-tRNA synthetase, putative 0.0095 0.0788 0.5567
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0039 0.0107 0.081
Plasmodium vivax isoleucine--tRNA ligase, putative 0.0139 0.1315 1
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS 0.0073 0.0516 0.1006
Schistosoma mansoni isoleucine--tRNA ligase 0.0139 0.1315 0.1222
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0399 0.4481 1
Brugia malayi leucyl-tRNA synthetase 0.0095 0.0788 0.5567
Loa Loa (eye worm) hypothetical protein 0.0043 0.0154 0.0125
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0033 0.0029 0.0222
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0853 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0125 0.0747
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial 0.0099 0.0835 0.0737
Brugia malayi Heterochromatin protein 1 0.0077 0.0567 0.3712
Wolbachia endosymbiont of Brugia malayi valyl-tRNA synthetase 0.0073 0.0509 0.0881
Entamoeba histolytica isoleucyl-tRNA synthetase, putative 0.0139 0.1315 1
Chlamydia trachomatis isoleucine--tRNA ligase 0.0139 0.1315 1
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0095 0.0788 0.599
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.0139 0.1315 0.1222
Onchocerca volvulus 0.0099 0.0835 1
Leishmania major valyl-tRNA synthetase, putative 0.0073 0.0509 0.3224
Echinococcus multilocularis valyl tRNA synthetase 0.0073 0.0509 0.0407
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0567 0.4311
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0073 0.0509 0.373
Loa Loa (eye worm) hypothetical protein 0.0853 1 1
Schistosoma mansoni inositol monophosphatase 0.0041 0.0125 0.0019
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0033 0.0029 0.0222
Mycobacterium tuberculosis Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase) 0.0399 0.4481 1
Echinococcus multilocularis valyl tRNA synthetase 0.0073 0.0509 0.0407
Loa Loa (eye worm) hypothetical protein 0.0034 0.004 0.0011
Echinococcus multilocularis chromobox protein 1 0.0077 0.0567 0.0465
Entamoeba histolytica leucyl-tRNA synthetase, putative 0.0095 0.0788 0.5567
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0056 0.0308 0.2342
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0073 0.0509 0.3869
Schistosoma mansoni chromobox protein 0.0077 0.0567 0.0465
Loa Loa (eye worm) hypothetical protein 0.0139 0.1315 0.129
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0194 0.1934
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0465 0.528 1
Plasmodium vivax hypothetical protein, conserved 0.0095 0.0788 0.3458
Mycobacterium leprae isoleucyl-tRNA synthetase IleS 0.0139 0.1315 0.2818
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0194 0.1474
Brugia malayi Valyl-tRNA synthetase 0.0085 0.0663 0.4517
Toxoplasma gondii tRNA synthetase, putative 0.0066 0.0426 0.2525
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0154 0.117
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.0139 0.1315 0.2732
Mycobacterium tuberculosis Probable valyl-tRNA synthase protein ValS (valyl-tRNA synthetase) (valine--tRNA ligase) (valine translase) 0.0073 0.0509 0.0989
Plasmodium falciparum valine--tRNA ligase, putative 0.0073 0.0509 0.0171
Loa Loa (eye worm) inositol-1 0.0041 0.0125 0.0096
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0567 0.4311
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0033 0.0029 0.0222
Schistosoma mansoni leucyl-tRNA synthetase 0.0095 0.0788 0.0688
Echinococcus granulosus leucyl tRNA synthetase 0.0095 0.0788 0.0688
Schistosoma mansoni valine-tRNA ligase 0.0073 0.0509 0.0407
Toxoplasma gondii isoleucyl-tRNA synthetase, putative 0.0066 0.0426 0.2525
Treponema pallidum isoleucyl-tRNA synthetase 0.0139 0.1315 1
Treponema pallidum valyl-tRNA synthetase 0.0073 0.0509 0.3329
Trypanosoma cruzi leucyl-tRNA synthetase, putative 0.0095 0.0788 0.5898
Wolbachia endosymbiont of Brugia malayi formamidopyrimidine-DNA glycosylase 0.0399 0.4481 1
Brugia malayi isoleucyl-tRNA synthetase family protein 0.0139 0.1315 1
Echinococcus granulosus leucyl tRNA synthetase 0.0066 0.0426 0.0323
Brugia malayi chromobox protein homolog 3 0.0043 0.0154 0.024
Entamoeba histolytica valyl-tRNA synthetase, putative 0.0073 0.0509 0.3224
Toxoplasma gondii isoleucyl-tRNA synthetase family protein 0.0139 0.1315 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0426 0.0398
Loa Loa (eye worm) hypothetical protein 0.0099 0.0835 0.0809
Plasmodium falciparum leucine--tRNA ligase, putative 0.0095 0.0788 0.0746
Echinococcus multilocularis leucyl tRNA synthetase 0.0066 0.0426 0.0323
Loa Loa (eye worm) hypothetical protein 0.0853 1 1
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0046 0.019 0.1248
Mycobacterium ulcerans valyl-tRNA synthetase 0.0073 0.0509 0.092
Echinococcus granulosus isoleucyl trna synthetase mitochondrial 0.0099 0.0835 0.0737
Leishmania major isoleucyl-tRNA synthetase, putative 0.0139 0.1315 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0469 0.0441
Giardia lamblia Valine-tRNA ligase 0.0073 0.0509 0.1994
Echinococcus multilocularis chromobox protein 1 0.0077 0.0567 0.0465
Toxoplasma gondii valyl-tRNA synthetase 0.0073 0.0509 0.3224
Toxoplasma gondii leucyl-tRNA synthetase 0.0095 0.0788 0.5567
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0154 0.117
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0853 1 1
Trichomonas vaginalis isoleucyl tRNA synthetase, putative 0.0139 0.1315 1
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0139 0.1315 0.1832
Toxoplasma gondii leucyl-tRNA synthetase (LeuRS2) 0.0066 0.0426 0.2525
Echinococcus granulosus chromobox protein 1 0.0077 0.0567 0.0465
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0853 1 1
Echinococcus granulosus chromobox protein 1 0.0077 0.0567 0.0465
Mycobacterium leprae Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE) 0.0399 0.4481 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0853 1 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0125 0.0043
Mycobacterium leprae PROBABLE VALYL-tRNA SYNTHASE PROTEIN VALS (VALYL-tRNA SYNTHETASE) (VALINE--tRNA LIGASE) (VALINE TRANSLASE) ELONGS TO CLASS-I AMI 0.0073 0.0509 0.0989
Echinococcus multilocularis leucyl tRNA synthetase 0.0095 0.0788 0.0688
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0125 0.0952
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0399 0.4481 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.019 0.0161
Mycobacterium ulcerans isoleucyl-tRNA synthetase 0.0139 0.1315 0.2763
Onchocerca volvulus 0.0039 0.0107 0.0837
Brugia malayi isoleucyl-tRNA synthetase 0.0139 0.1315 1
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.0139 0.1315 0.129
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0125 0.0019

Activities

Activity type Activity value Assay description Source Reference
EC50 > 49.75 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify inhibitors of Wee1 degradation. (Class of assay: screening) [Related pubchem assays (depositor defined):AID1321, AID1410, AID1412, AID1413, AID1414, AID1807, AID434972] Panel member name: Wee1 Degradation ChEMBL. No reference
EC50 > 49.75 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify inhibitors of Wee1 degradation. (Class of assay: screening) [Related pubchem assays (depositor defined):AID1321, AID1410, AID1412, AID1413, AID1414, AID1807, AID434972] Panel member name: Cyclin B Degradation 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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