Detailed information for compound 727493

Basic information

Technical information
  • TDR Targets ID: 727493
  • Name: 6-amino-3-methyl-4-pyridin-3-yl-2,4-dihydropy rano[6,5-c]pyrazole-5-carbonitrile
  • MW: 253.259 | Formula: C13H11N5O
  • H donors: 2 H acceptors: 3 LogP: 1.25 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)Oc2c(C1c1cccnc1)c(C)[nH]n2
  • InChi: 1S/C13H11N5O/c1-7-10-11(8-3-2-4-16-6-8)9(5-14)12(15)19-13(10)18-17-7/h2-4,6,11H,15H2,1H3,(H,17,18)
  • InChiKey: VYGIWUNRWYXGJY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-amino-3-methyl-4-(3-pyridyl)-2,4-dihydropyrano[6,5-c]pyrazole-5-carbonitrile
  • AE-641/00856013
  • A0239/0010762
  • 4H,7H-Pyrazolo[3,4-b]pyran-5-carbonitrile, 6-amino-3-methyl-4-(3-pyridyl)-
  • 6-Amino-3-methyl-4-(3-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

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
Trypanosoma brucei hexokinase 0.0646 0.7675 0.9865
Loa Loa (eye worm) hexokinase 0.0646 0.7675 0.7176
Trichomonas vaginalis CAMK family protein kinase 0.0141 0.098 0.0895
Schistosoma mansoni caspase-7 (C14 family) 0.0199 0.1749 0.0802
Echinococcus granulosus caspase 0.0199 0.1749 0.2153
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0199 0.1749 0.2153
Echinococcus granulosus hexokinase 0.0646 0.7675 0.9864
Trichomonas vaginalis glutaminase, putative 0.0822 1 1
Echinococcus multilocularis hexokinase 0.0646 0.7675 0.9864
Brugia malayi Hexokinase family protein 0.0405 0.4486 0.3304
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0679 0.811 1
Mycobacterium ulcerans glutaminase 0.0822 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.2878 0.2811
Echinococcus granulosus hexokinase type 2 0.0646 0.7675 0.9864
Loa Loa (eye worm) glutaminase 2 0.0822 1 1
Trypanosoma brucei hexokinase, putative 0.0646 0.7675 0.9865
Schistosoma mansoni serine/threonine protein kinase 0.0284 0.2878 0.2061
Onchocerca volvulus 0.0646 0.7675 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0074 0.0093 0.0093
Trypanosoma brucei hypothetical protein, conserved 0.064 0.7587 0.9752
Trypanosoma cruzi hexokinase, putative 0.0646 0.7675 0.9864
Brugia malayi glucose-6-phosphate dehydrogenase 0.0654 0.778 0.7303
Toxoplasma gondii hexokinase 0.0646 0.7675 0.8695
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0679 0.811 1
Echinococcus multilocularis caspase 0.0199 0.1749 0.2153
Onchocerca volvulus 0.0646 0.7675 1
Loa Loa (eye worm) hexokinase 0.0405 0.4486 0.3304
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0654 0.778 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0227 0.2123 1
Onchocerca volvulus 0.0646 0.7675 1
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0067 0 0.5
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0217 0.1988 0.2465
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0284 0.2878 0.3623
Trypanosoma brucei polo-like protein kinase 0.0284 0.2878 0.37
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0139 0.0955 0.45
Schistosoma mansoni caspase-3 (C14 family) 0.0199 0.1749 0.0802
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0679 0.811 0.8092
Echinococcus granulosus hexokinase 0.0646 0.7675 0.9864
Leishmania major hexokinase, putative 0.0646 0.7675 0.9864
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.2878 0.2811
Loa Loa (eye worm) transcription factor SMAD2 0.0234 0.2218 0.0549
Leishmania major hexokinase, putative 0.0646 0.7675 0.9864
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.2878 0.2811
Mycobacterium tuberculosis Conserved protein 0.0074 0.0093 0.044
Brugia malayi Hexokinase family protein 0.0646 0.7675 0.7176
Schistosoma mansoni hexokinase 0.0646 0.7675 0.7408
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0199 0.1749 0.2153
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0679 0.811 1
Trypanosoma brucei hexokinase 0.0646 0.7675 0.9865
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0654 0.778 1
Trypanosoma cruzi hexokinase, putative 0.0646 0.7675 0.9864
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0284 0.2878 0.1351
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0654 0.778 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0679 0.811 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0654 0.778 0.7303
Schistosoma mansoni glutaminase 0.0822 1 1
Loa Loa (eye worm) hexokinase 0.0646 0.7675 0.7176
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0654 0.778 1
Onchocerca volvulus 0.0405 0.4486 0.3352
Trichomonas vaginalis CAMK family protein kinase 0.0141 0.098 0.0895
Echinococcus granulosus caspase 3 0.0146 0.1045 0.1238
Trypanosoma cruzi polo-like protein kinase, putative 0.0284 0.2878 0.3623
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0679 0.811 0.8092
Entamoeba histolytica hexokinase 1 0.0646 0.7675 1
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.2878 0.2811
Loa Loa (eye worm) hexokinase type II 0.0646 0.7675 0.7176
Loa Loa (eye worm) hypothetical protein 0.0205 0.1839 0.0088
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0074 0.0093 0.0093
Mycobacterium ulcerans hypothetical protein 0.0074 0.0093 0.0093
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0654 0.778 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.2878 0.2811
Loa Loa (eye worm) hypothetical protein 0.0205 0.1839 0.0088
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0654 0.778 1
Echinococcus multilocularis hexokinase 0.0646 0.7675 0.9864
Echinococcus multilocularis caspase 3 0.0146 0.1045 0.1238
Onchocerca volvulus Hexokinase homolog 0.0405 0.4486 0.3352
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0074 0.0093 0.0093
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0427 0.4775 0.4775
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0284 0.2878 0.3623
Loa Loa (eye worm) MH2 domain-containing protein 0.0234 0.2218 0.0549
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.021 0.1905 0.2357
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.2878 0.2811
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0654 0.778 0.7525
Trypanosoma cruzi hypothetical protein, conserved 0.064 0.7587 0.9749
Brugia malayi MH2 domain containing protein 0.0234 0.2218 0.0549
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0654 0.778 1
Loa Loa (eye worm) hypothetical protein 0.0441 0.4954 0.3872
Echinococcus multilocularis hexokinase 0.0646 0.7675 0.9864
Brugia malayi hexokinase type II 0.0205 0.1839 0.0088
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0139 0.0955 0.0955
Brugia malayi serine/threonine-protein kinase plk-2 0.0284 0.2878 0.1351
Trypanosoma cruzi polo-like protein kinase, putative 0.0284 0.2878 0.3623
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0679 0.811 0.8092
Mycobacterium ulcerans hypothetical protein 0.0074 0.0093 0.0093
Trypanosoma cruzi hypothetical protein, conserved 0.064 0.7587 0.9749
Loa Loa (eye worm) glutaminase 0.0822 1 1
Echinococcus multilocularis hexokinase type 2 0.0646 0.7675 0.9864
Entamoeba histolytica hexokinase 2 0.0646 0.7675 1
Leishmania major hypothetical protein, conserved 0.064 0.7587 0.9749
Trichomonas vaginalis CAMK family protein kinase 0.0284 0.2878 0.2811
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0074 0.0093 0.044
Brugia malayi hexokinase 0.0646 0.7675 0.7176
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0284 0.2878 0.3623
Echinococcus granulosus hexokinase 0.0646 0.7675 0.9864
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0654 0.778 0.778

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0.41 % Cytotoxicity against estrogen receptor-positive human MCF7 cells assessed as inhibition of cell proliferation at 1 ug/ml after 24 hrs by MTT assay ChEMBL. 22818081

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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