Detailed information for compound 1307156

Basic information

Technical information
  • TDR Targets ID: 1307156
  • Name: methyl 2-(4-oxo-7-phenylpyrazolo[5,4-d]triazi n-3-yl)acetate
  • MW: 285.258 | Formula: C13H11N5O3
  • H donors: 0 H acceptors: 3 LogP: 1.79 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cn1nnc2c(c1=O)cnn2c1ccccc1
  • InChi: 1S/C13H11N5O3/c1-21-11(19)8-17-13(20)10-7-14-18(12(10)15-16-17)9-5-3-2-4-6-9/h2-7H,8H2,1H3
  • InChiKey: XEAAFFRLYDYWEL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-(4-oxo-7-phenyl-pyrazolo[5,4-d]triazin-3-yl)acetate
  • 2-(4-oxo-7-phenyl-3-pyrazolo[5,4-d]triazinyl)acetic acid methyl ester
  • 2-(4-keto-7-phenyl-pyrazolo[5,4-d]triazin-3-yl)acetic acid methyl ester
  • methyl 2-(4-oxo-7-phenyl-pyrazolo[5,4-d][1,2,3]triazin-3-yl)ethanoate
  • SMR000287829
  • ZINC01344708
  • ASN 08822185
  • MLS000708362

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0172 0.5
Plasmodium vivax glutathione reductase, putative 0.0041 0.1475 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0103 0.5454 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0093 0.4794 0.8751
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.6769 0.6713
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1744 0.1744
Loa Loa (eye worm) thioredoxin reductase 0.0041 0.1475 0.3282
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1744 0.1744
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.6769 0.6769
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0172 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1744 0.1599
Brugia malayi Thioredoxin reductase 0.0041 0.1475 0.3282
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1744 0.3958
Toxoplasma gondii thioredoxin reductase 0.0041 0.1475 0.2179
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.6769 0.6769
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1744 0.1599
Plasmodium falciparum thioredoxin reductase 0.0041 0.1475 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.151 0.1361
Schistosoma mansoni ap endonuclease 0.002 0.0172 0.0172
Plasmodium falciparum glutathione reductase 0.0041 0.1475 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.6769 0.6713
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1744 0.1599
Plasmodium vivax thioredoxin reductase, putative 0.0041 0.1475 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.4142 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0103 0.5454 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0172 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1744 0.1599
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.4142 0.4142
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.6769 0.6769
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1744 0.1744
Echinococcus multilocularis geminin 0.0174 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0093 0.4794 0.8751
Mycobacterium tuberculosis Probable reductase 0.0093 0.4794 0.8751
Trypanosoma cruzi trypanothione reductase, putative 0.0041 0.1475 1
Schistosoma mansoni hypothetical protein 0.0174 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0093 0.4794 0.8751
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0093 0.4794 0.8751
Toxoplasma gondii melibiase subfamily protein 0.0124 0.6769 1
Leishmania major trypanothione reductase 0.0041 0.1475 1
Trypanosoma brucei trypanothione reductase 0.0041 0.1475 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0093 0.4794 0.8751
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.4142 0.4142
Brugia malayi Melibiase family protein 0.0082 0.4142 1
Brugia malayi glutathione reductase 0.0041 0.1475 0.3282
Toxoplasma gondii exonuclease III APE 0.002 0.0172 0.0254
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1744 0.3958
Mycobacterium tuberculosis Probable oxidoreductase 0.0103 0.5454 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0172 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.6769 0.6769
Loa Loa (eye worm) hypothetical protein 0.0082 0.4142 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0041 0.1475 0.2467
Schistosoma mansoni ap endonuclease 0.002 0.0172 0.0172
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0172 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0103 0.5454 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.151 0.1361
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.6769 0.6713
Schistosoma mansoni hypothetical protein 0.0174 1 1
Loa Loa (eye worm) glutathione reductase 0.0041 0.1475 0.3282

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 10.4179 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) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) 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 of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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