Detailed information for compound 1310866

Basic information

Technical information
  • TDR Targets ID: 1310866
  • Name: 2-amino-4-(1,5-dimethylpyrazol-4-yl)-5-oxo-4, 6,7,8-tetrahydrochromene-3-carbonitrile
  • MW: 284.313 | Formula: C15H16N4O2
  • H donors: 1 H acceptors: 3 LogP: 0.71 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)OC2=C(C1c1cnn(c1C)C)C(=O)CCC2
  • InChi: 1S/C15H16N4O2/c1-8-10(7-18-19(8)2)13-9(6-16)15(17)21-12-5-3-4-11(20)14(12)13/h7,13H,3-5,17H2,1-2H3
  • InChiKey: TVSOJYDNJMVHQS-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-amino-4-(1,5-dimethyl-4-pyrazolyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
  • 2-amino-4-(1,5-dimethylpyrazol-4-yl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile
  • 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
  • MLS000698203
  • SMR000227878
  • AK-968/41017447

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758

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
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0803 0.0803
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.1036 1
Onchocerca volvulus 0.0054 0.2734 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0405 0.0405
Loa Loa (eye worm) hypothetical protein 0.0025 0.0047 0.0047
Trichomonas vaginalis phosphofructokinase, putative 0.0131 1 1
Loa Loa (eye worm) intermediate filament protein 0.0054 0.2734 0.2734
Echinococcus multilocularis lamin dm0 0.0054 0.2734 0.2632
Brugia malayi 6-phosphofructokinase 0.0131 1 1
Echinococcus granulosus lamin dm0 0.0054 0.2734 0.2632
Loa Loa (eye worm) hypothetical protein 0.0026 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0025 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0053 0.2642 0.2642
Trichomonas vaginalis phosphofructokinase, putative 0.0131 1 1
Echinococcus granulosus 6 phosphofructokinase 0.0131 1 1
Brugia malayi 6-phosphofructokinase 0.0131 1 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 1 0.5
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.1036 1
Echinococcus multilocularis 6 phosphofructokinase 0.0131 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.621 0.5879
Loa Loa (eye worm) hypothetical protein 0.0054 0.2734 0.2734
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.1036 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.2734 0.2734
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2231 0.2231
Entamoeba histolytica phosphofructokinase, putative 0.0131 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.621 0.6157
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0405 0.0405
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.621 0.5879
Schistosoma mansoni 6-phosphofructokinase 0.0131 1 1
Schistosoma mansoni lamin 0.0054 0.2734 0.21
Schistosoma mansoni lamin 0.0054 0.2734 0.21
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.1036 0.5
Echinococcus granulosus intermediate filament protein 0.0054 0.2734 0.2632
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2231 0.2231
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2231 0.2231
Entamoeba histolytica phosphofructokinase, putative 0.0131 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.621 0.6157
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.1036 1
Brugia malayi intermediate filament protein 0.0054 0.2734 0.2734
Echinococcus multilocularis musashi 0.0054 0.2734 0.2632
Trichomonas vaginalis phosphofructokinase, putative 0.0131 1 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 1 0.5
Leishmania major ATP-dependent phosphofructokinase 0.0131 1 1
Echinococcus granulosus lamin 0.0054 0.2734 0.2632
Onchocerca volvulus 0.0054 0.2734 0.5
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.1036 1
Entamoeba histolytica phosphofructokinase, putative 0.0131 1 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 1 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.1036 1
Loa Loa (eye worm) phosphofructokinase 0.0131 1 1
Schistosoma mansoni 6-phosphofructokinase 0.0131 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.2734 0.2734
Loa Loa (eye worm) hypothetical protein 0.0048 0.2231 0.2231
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 1 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.621 0.6157
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 1 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.1036 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.621 0.621
Loa Loa (eye worm) hypothetical protein 0.0033 0.0803 0.0803
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.621 0.5879
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.1036 1
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.1036 0.5
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.621 0.621
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.621 0.6157
Echinococcus multilocularis lamin 0.0054 0.2734 0.2632
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 1 1
Schistosoma mansoni intermediate filament proteins 0.0054 0.2734 0.21
Trichomonas vaginalis phosphofructokinase, putative 0.0131 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.4921 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] 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

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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