Detailed information for compound 1234506

Basic information

Technical information
  • TDR Targets ID: 1234506
  • Name: 6-cyclopropyl-N-(4-methylsulfonylphenyl)-1-pr opan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamid e
  • MW: 398.479 | Formula: C20H22N4O3S
  • H donors: 1 H acceptors: 5 LogP: 2.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(nc2c1cnn2C(C)C)C1CC1)Nc1ccc(cc1)S(=O)(=O)C
  • InChi: 1S/C20H22N4O3S/c1-12(2)24-19-17(11-21-24)16(10-18(23-19)13-4-5-13)20(25)22-14-6-8-15(9-7-14)28(3,26)27/h6-13H,4-5H2,1-3H3,(H,22,25)
  • InChiKey: ROYIVHXCWSKKSX-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-cyclopropyl-1-isopropyl-N-(4-methylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
  • 6-cyclopropyl-1-isopropyl-N-(4-methylsulfonylphenyl)-4-pyrazolo[5,4-b]pyridinecarboxamide
  • 6-cyclopropyl-1-isopropyl-N-(4-mesylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
  • 6-cyclopropyl-N-(4-methylsulfonylphenyl)-1-propan-2-yl-pyrazolo[5,4-b]pyridine-4-carboxamide
  • ZINC08395416
  • T5564015

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 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
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-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
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana 6-phospho-1-fructokinase, 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
Trichomonas vaginalis phosphofructokinase, putative 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
Trichomonas vaginalis 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 major ATP-dependent 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
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
Entamoeba histolytica 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
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase 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
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (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
Entamoeba histolytica phosphofructokinase, putative 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
Trichomonas vaginalis phosphofructokinase, 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
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
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 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
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 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
Brugia malayi 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
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0775 0.1091
Trypanosoma brucei telomerase reverse transcriptase 0.0091 0.1593 0.1593
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0795 0.1118
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.5806 0.5972
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0289 0.7111 1
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2709 0.381
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0645 0.0907
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0029 0.0185
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0289 0.7111 0.7315
Onchocerca volvulus 0.0089 0.1521 0.176
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0795 0.0668
Echinococcus multilocularis p2X purinoceptor 4 0.0267 0.6494 0.6392
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0091 0.1593 0.224
Schistosoma mansoni chromobox protein 0.0068 0.0931 0.0805
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.2709 0.381
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0029 0.0041
Echinococcus multilocularis ras gtpase 0.0143 0.3028 0.2517
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2709 0.381
Leishmania major eukaryotic translation initiation factor-like protein 0.0289 0.7111 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0795 0.0818
Giardia lamblia Telomerase catalytic subunit 0.0091 0.1593 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0289 0.7111 1
Brugia malayi phosphofructokinase 0.0131 0.2709 0.381
Leishmania major telomerase reverse transcriptase, putative 0.0091 0.1593 0.224
Brugia malayi 6-phosphofructokinase 0.0131 0.2709 0.381
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.5806 0.5623
Loa Loa (eye worm) hypothetical protein 0.0089 0.1521 0.2139
Echinococcus granulosus ras gtpase 0.0143 0.3028 0.3114
Echinococcus multilocularis p2X purinoceptor 4 0.0267 0.6494 0.6392
Plasmodium falciparum telomerase reverse transcriptase 0.0091 0.1593 1
Brugia malayi Heterochromatin protein 1 0.0068 0.0931 0.1309
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0137 0.0192
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0795 0.0668
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0775 0.0648
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2709 0.381
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0289 0.7111 1
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0029 0.0041
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.2709 0.381
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0091 0.1593 0.224
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0289 0.7111 1
Loa Loa (eye worm) phosphofructokinase 0.0131 0.2709 0.381
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0029 0.0041
Loa Loa (eye worm) hypothetical protein 0.0039 0.0137 0.0192
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0029 0.0041
Echinococcus multilocularis expressed protein 0.0382 0.9722 1
Brugia malayi GTP-binding protein 0.0143 0.3028 0.4257
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0029 0.5
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0931 0.1309
Echinococcus granulosus p2X purinoceptor 4 0.0267 0.6494 0.668
Loa Loa (eye worm) hypothetical protein 0.0242 0.5806 0.8165
Echinococcus granulosus chromobox protein 1 0.0068 0.0931 0.0957
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0029 0.0041
Brugia malayi TAR-binding protein 0.0063 0.0795 0.1118
Schistosoma mansoni cell polarity protein 0.0143 0.3028 0.2931
Echinococcus granulosus chromobox protein 1 0.0068 0.0931 0.0957
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0099 0.0139
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0029 0.0185
Echinococcus granulosus p2X purinoceptor 4 0.0267 0.6494 0.668
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0289 0.7111 1
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.2709 0.2608
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0089 0.1521 0.1403
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.2709 0.2161
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0931 0.1309
Brugia malayi Telomerase reverse transcriptase 0.0243 0.5838 0.8209
Echinococcus granulosus expressed protein 0.0382 0.9722 1
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2709 0.381
Leishmania major eukaryotic translation initiation factor-like 0.0289 0.7111 1
Loa Loa (eye worm) translation initiation factor 4E 0.0289 0.7111 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0795 0.1118
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0795 0.0668
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.2709 0.2608
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0029 0.0041
Schistosoma mansoni survival motor neuron protein 0.0049 0.0418 0.0285
Schistosoma mansoni cell polarity protein 0.0143 0.3028 0.2931
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0931 0.1309
Echinococcus multilocularis p2X purinoceptor 4 0.0267 0.6494 0.6392
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.2709 0.2709
Trypanosoma brucei RNA helicase, putative 0.0392 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0029 0.0041
Schistosoma mansoni chromobox protein 0.0068 0.0931 0.0805
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0795 0.0668
Schistosoma mansoni P2X receptor subunit 0.0132 0.2735 0.2634
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0795 0.0668
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0343 0.8642 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0289 0.7111 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2709 0.381
Onchocerca volvulus 0.0049 0.0418 0.0484
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0179 0.0252
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0775 0.1091
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.2709 1
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0029 0.0041
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0029 0.0041
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0029 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0179 0.0207
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0418 0.0588
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.2709 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0029 0.0185
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2709 0.381
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0099 0.0114
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0029 0.0185
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0179 0.0252
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.2709 0.2787
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0775 0.0798
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0289 0.7111 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0089 0.1521 0.2139
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0795 0.0022
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.2709 0.381
Brugia malayi GTP-binding protein, identical 0.0143 0.3028 0.4257
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0775 0.0648
Echinococcus granulosus p2X purinoceptor 4 0.0267 0.6494 0.668
Schistosoma mansoni P2X receptor subunit 0.0267 0.6494 0.6445
Loa Loa (eye worm) hypothetical protein 0.0057 0.0645 0.0907
Loa Loa (eye worm) GTP-binding protein 0.0143 0.3028 0.4257
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0289 0.7111 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0029 0.0185
Echinococcus granulosus L aminoadipate semialdehyde 0.0089 0.1521 0.1564
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.2709 0.381
Echinococcus multilocularis L aminoadipate semialdehyde 0.0089 0.1521 0.0833
Schistosoma mansoni P2X receptor subunit 0.0132 0.2735 0.2634
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.2709 1
Brugia malayi 6-phosphofructokinase 0.0131 0.2709 0.381
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0289 0.7111 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0645 0.0907
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.2709 1
Schistosoma mansoni hypothetical protein 0.0049 0.0418 0.0285
Brugia malayi translation initiation factor 4E 0.0289 0.7111 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0289 0.7111 0.7111
Loa Loa (eye worm) RNA binding protein 0.0063 0.0795 0.1118
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0289 0.7111 0.7082
Brugia malayi hypothetical protein 0.0242 0.5806 0.8165
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0775 0.2715
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0289 0.7111 1
Schistosoma mansoni P2X receptor subunit 0.0267 0.6494 0.6445
Brugia malayi chromobox protein homolog 3 0.0038 0.0099 0.0139
Plasmodium vivax telomerase reverse transcriptase, putative 0.0091 0.1593 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2709 0.381
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0029 0.0041
Echinococcus multilocularis chromobox protein 1 0.0068 0.0931 0.0173
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0645 0.0907
Echinococcus multilocularis chromobox protein 1 0.0068 0.0931 0.0173
Brugia malayi RNA binding protein 0.0063 0.0795 0.1118
Toxoplasma gondii RNA-directed DNA polymerase 0.0091 0.1593 0.224
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0289 0.7111 0.7071
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0099 0.0139
Loa Loa (eye worm) hypothetical protein 0.0038 0.0099 0.0139
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0795 0.1118
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0029 0.0041

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.0131 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) 13.1154 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) 13.1154 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) 29.081 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) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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