Detailed information for compound 17877

Basic information

Technical information
  • TDR Targets ID: 17877
  • Name: 2-[4-amino-3-(methoxycarbonimidoyl)pyrazolo[5 ,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane -3,4-diol
  • MW: 324.293 | Formula: C12H16N6O5
  • H donors: 4 H acceptors: 6 LogP: -1.5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(C(C1O)O)n1nc(c2c1ncnc2N)C(=N)OC
  • InChi: 1S/C12H16N6O5/c1-22-10(14)6-5-9(13)15-3-16-11(5)18(17-6)12-8(21)7(20)4(2-19)23-12/h3-4,7-8,12,14,19-21H,2H2,1H3,(H2,13,15,16)
  • InChiKey: OPRYQXPPNHIJMC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-amino-3-(methoxycarbonimidoyl)pyrazolo[5,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • 2-[4-amino-3-(imino-methoxymethyl)-1-pyrazolo[5,4-d]pyrimidinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • 2-[4-amino-3-(methoxycarbonimidoyl)pyrazolo[5,4-d]pyrimidin-1-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • 55559-50-7
  • 1H-Pyrazolo[3,4-d]pyrimidine-3-carboximidic acid, 4-amino-1-.beta.-D-ribofuranosyl-, methyl ester, monohydrate
  • NSC173719

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
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0256 0.4869 0.8372
Loa Loa (eye worm) hypothetical protein 0.0069 0.0805 0.1384
Schistosoma mansoni glutamate receptor kainate 0.0134 0.2223 0.3823
Schistosoma mansoni metabotropic glutamate receptor 0.0069 0.0805 0.1384
Brugia malayi metabotropic glutamate receptor type 2 0.0069 0.0805 0.1653
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0077 0.0985 0.2023
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0203 0.3716 0.3837
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0134 0.2223 0.2296
Loa Loa (eye worm) hypothetical protein 0.0077 0.0985 0.1694
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.1976 0.204
Echinococcus granulosus glutamate receptor subunit protein glur 0.0134 0.2223 0.2296
Echinococcus multilocularis glutamate receptor 2 0.0134 0.2223 0.2296
Echinococcus granulosus metabotropic glutamate receptor 5 0.0069 0.0805 0.0831
Trypanosoma brucei hypothetical protein, conserved 0.0077 0.0985 0.5
Brugia malayi Guanylyl cyclase protein 23 0.0069 0.0805 0.1653
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0985 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.0069 0.0805 0.1653
Echinococcus multilocularis glutamate receptor 2 0.0069 0.0805 0.0831
Schistosoma mansoni hypothetical protein 0.0165 0.2893 0.4973
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1486 0.2555
Loa Loa (eye worm) RNA binding protein 0.0062 0.0652 0.1122
Onchocerca volvulus 0.0077 0.0985 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0134 0.2223 0.2296
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1486 0.3051
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0134 0.2223 0.2296
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0985 0.5
Echinococcus granulosus tyrosine kinase 0.0069 0.0805 0.0831
Echinococcus multilocularis muscleblind protein 0.0155 0.2669 0.2755
Loa Loa (eye worm) hypothetical protein 0.0068 0.0798 0.1372
Echinococcus multilocularis snurportin 1 0.03 0.5816 0.6005
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0798 0.1639
Brugia malayi Glutamate receptor 2 precursor 0.0134 0.2223 0.4566
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.1976 0.204
Schistosoma mansoni thyroid hormone receptor 0.015 0.2564 0.4408
Brugia malayi beta-lactamase 0.0077 0.0985 0.2023
Brugia malayi beta-lactamase family protein 0.0077 0.0985 0.2023
Loa Loa (eye worm) hypothetical protein 0.0155 0.2669 0.4589
Schistosoma mansoni glutamate receptor NMDA 0.0203 0.3716 0.6389
Schistosoma mansoni metabotropic glutamate receptor 0.0069 0.0805 0.1384
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0344 0.6774 0.6422
Onchocerca volvulus 0.0077 0.0985 1
Onchocerca volvulus 0.0077 0.0985 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0652 0.0674
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0344 0.6774 0.5
Brugia malayi RNA binding protein 0.0062 0.0652 0.134
Echinococcus granulosus tar DNA binding protein 0.0062 0.0652 0.0674
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0203 0.3716 0.3837
Schistosoma mansoni hypothetical protein 0.0123 0.1976 0.3397
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0069 0.0805 0.1384
Schistosoma mansoni hypothetical protein 0.0165 0.2893 0.4973
Echinococcus granulosus atrial natriuretic peptide receptor 0.0069 0.0805 0.0831
Loa Loa (eye worm) hypothetical protein 0.0077 0.0985 0.1694
Echinococcus multilocularis geminin 0.0165 0.2893 0.2986
Schistosoma mansoni ATP-binding cassette transporter 0.0134 0.2223 0.3823
Loa Loa (eye worm) hypothetical protein 0.0077 0.0985 0.1694
Chlamydia trachomatis glutamine binding protein 0.0344 0.6774 0.5
Schistosoma mansoni tyrosine kinase 0.0069 0.0805 0.1384
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0134 0.2223 0.2296
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0203 0.3716 0.3837
Loa Loa (eye worm) hypothetical protein 0.0069 0.0805 0.1384
Echinococcus multilocularis muscleblind protein 1 0.0155 0.2669 0.2755
Loa Loa (eye worm) RGC/RGC protein kinase 0.0069 0.0805 0.1384
Brugia malayi beta-lactamase family protein 0.0077 0.0985 0.2023
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0203 0.3716 0.3837
Echinococcus granulosus nmda type glutamate receptor 0.0069 0.0805 0.0831
Loa Loa (eye worm) hypothetical protein 0.0077 0.0985 0.1694
Schistosoma mansoni glutamate receptor NMDA 0.0134 0.2223 0.3823
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0985 0.5
Echinococcus granulosus receptor type guanylyl cyclase 0.0069 0.0805 0.0831
Schistosoma mansoni thyroid hormone receptor 0.015 0.2564 0.4408
Brugia malayi Glutamate receptor 1 precursor 0.0134 0.2223 0.4566
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0985 0.1694
Echinococcus granulosus beta LACTamase domain containing family member 0.0077 0.0985 0.1017
Loa Loa (eye worm) RGC/RGC protein kinase 0.0069 0.0805 0.1384
Echinococcus multilocularis nmda type glutamate receptor 0.0069 0.0805 0.0831
Schistosoma mansoni glutamate receptor AMPA 0.0134 0.2223 0.3823
Entamoeba histolytica hypothetical protein 0.0069 0.0805 0.5
Echinococcus multilocularis receptor type guanylyl cyclase 0.0069 0.0805 0.0831
Brugia malayi TAR-binding protein 0.0062 0.0652 0.134
Loa Loa (eye worm) hypothetical protein 0.0077 0.0985 0.1694
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0344 0.6774 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0805 0.1384
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0652 0.1122
Brugia malayi Muscleblind-like protein 0.0155 0.2669 0.5481
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0985 0.5
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0652 0.1122
Echinococcus granulosus muscleblind protein 0.0155 0.2669 0.2755
Schistosoma mansoni glutamate receptor kainate 0.0134 0.2223 0.3823
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0069 0.0805 0.1384
Trichomonas vaginalis esterase, putative 0.0077 0.0985 0.5
Schistosoma mansoni hypothetical protein 0.03 0.5816 1
Leishmania major hypothetical protein, conserved 0.0077 0.0985 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0134 0.2223 0.2296
Echinococcus granulosus glutamate receptor 2 0.0069 0.0805 0.0831
Schistosoma mansoni glutamate receptor kainate 0.0134 0.2223 0.3823
Echinococcus multilocularis tyrosine kinase 0.0069 0.0805 0.0831
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0344 0.6774 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0069 0.0805 0.0831
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.03 0.5816 1
Brugia malayi RNA, U transporter 1 0.008 0.1045 0.2146
Echinococcus granulosus glutamate receptor 2 0.0203 0.3716 0.3837
Loa Loa (eye worm) hypothetical protein 0.0155 0.2669 0.4589
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0985 0.1694
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0069 0.0805 0.0831
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1486 0.3051
Loa Loa (eye worm) hypothetical protein 0.01 0.1486 0.2555
Loa Loa (eye worm) glutamate receptor 1 0.0134 0.2223 0.3823
Brugia malayi hypothetical protein 0.0069 0.0805 0.1653
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0652 0.1122
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0077 0.0985 0.1694
Loa Loa (eye worm) hypothetical protein 0.0069 0.0805 0.1384
Loa Loa (eye worm) beta-lactamase 0.0077 0.0985 0.1694
Loa Loa (eye worm) hypothetical protein 0.0069 0.0805 0.1384
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0134 0.2223 0.2296
Echinococcus multilocularis beta LACTamase domain containing family member 0.0077 0.0985 0.1017
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0652 0.1122
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0203 0.3716 0.3837
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0652 0.1122
Loa Loa (eye worm) glutamate receptor 0.0069 0.0805 0.1384
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0985 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.0805 0.1384
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0203 0.3716 0.3837
Loa Loa (eye worm) hypothetical protein 0.0069 0.0805 0.1384
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0652 0.134
Mycobacterium leprae conserved hypothetical protein 0.0077 0.0985 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0478 0.9685 1
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0134 0.2223 0.2296
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0985 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0069 0.0805 0.1653
Echinococcus multilocularis glutamate receptor 2 0.0203 0.3716 0.3837
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0069 0.0805 0.1384
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0985 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0805 0.1384
Echinococcus granulosus snurportin 1 0.03 0.5816 0.6005
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0652 0.1122
Loa Loa (eye worm) glutamate receptor 2 0.0134 0.2223 0.3823
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0203 0.3716 0.3837
Echinococcus granulosus geminin 0.0165 0.2893 0.2986
Schistosoma mansoni glutamate receptor AMPA 0.0134 0.2223 0.3823
Schistosoma mansoni hypothetical protein 0.0068 0.0798 0.1372
Echinococcus multilocularis NMDA receptor 0.0134 0.2223 0.2296
Brugia malayi Receptor family ligand binding region containing protein 0.0069 0.0805 0.1653
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0069 0.0805 0.1653
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0203 0.3716 0.3837
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0069 0.0805 0.0831
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0344 0.6774 0.5
Brugia malayi follicle stimulating hormone receptor 0.0256 0.4869 1
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0985 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.015 0.2564 0.2647
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0652 0.1122
Schistosoma mansoni hypothetical protein 0.0134 0.2223 0.3823
Loa Loa (eye worm) hypothetical protein 0.0077 0.0985 0.1694
Schistosoma mansoni tyrosine kinase 0.0069 0.0805 0.1384
Loa Loa (eye worm) RGC/RGC protein kinase 0.0069 0.0805 0.1384
Schistosoma mansoni protein kinase 0.0069 0.0805 0.1384
Mycobacterium leprae Probable lipase LipE 0.0077 0.0985 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0478 0.9685 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0069 0.0805 0.0831
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0134 0.2223 0.2296
Loa Loa (eye worm) hypothetical protein 0.0069 0.0805 0.1384
Toxoplasma gondii ABC1 family protein 0.0077 0.0985 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0478 0.9685 1

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) 0 M In vitro inhibition of growth of L1210 mouse leukemic cells; nt= Not tested ChEMBL. 7328577
ILS (functional) = 64 Increase in life span of tumor L1210 leukemic mice 1-5 days after 400 mg/kg of the compound administered ChEMBL. 7328577
Toxicity (functional) 0 Toxicity of the compound against L1210 leukemic cells 1-5 days after administration of 400 mg/kg of the compound; nt= No higher dose tested ChEMBL. 7328577

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

1 literature reference was collected for this gene.

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