Detailed information for compound 106349

Basic information

Technical information
  • TDR Targets ID: 106349
  • Name: 4-amino-1,2-dihydropyrazol-3-one
  • MW: 99.0913 | Formula: C3H5N3O
  • H donors: 3 H acceptors: 2 LogP: -0.49 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1c[nH]nc1O
  • InChi: 1S/C3H5N3O/c4-2-1-5-6-3(2)7/h1H,4H2,(H2,5,6,7)
  • InChiKey: NATMWGYJBMRROQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-azanyl-1,2-dihydropyrazol-3-one
  • 4-amino-3-pyrazolin-3-one

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) CAMK/PKD protein kinase 0.0149 0.0048 0.0048
Loa Loa (eye worm) AGC/NDR protein kinase 0.0204 0.0285 0.0285
Loa Loa (eye worm) raf kinase 0.0144 0.0029 0.0029
Brugia malayi Hr1 repeat family protein 0.0204 0.0285 0.2872
Brugia malayi Protein kinase domain containing protein 0.0149 0.0048 0.0211
Trichomonas vaginalis AGC family protein kinase 0.0204 0.0285 1
Onchocerca volvulus 0.0148 0.0047 0.0019
Schistosoma mansoni unc-13 (munc13) 0.0148 0.0047 0.0122
Loa Loa (eye worm) hypothetical protein 0.0144 0.0029 0.0029
Brugia malayi protein kinase C II. 0.0352 0.0919 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.0029 0.0029
Entamoeba histolytica protein kinase, putative 0.0204 0.0285 1
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0204 0.0285 0.1774
Schistosoma mansoni protein kinase C mu 0.0149 0.0048 0.0131
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0204 0.0285 0.0285
Schistosoma mansoni serine/threonine protein kinase 0.0149 0.0048 0.0131
Loa Loa (eye worm) hypothetical protein 0.0144 0.0029 0.0029
Echinococcus multilocularis protein kinase c epsilon type 0.0352 0.0919 0.6176
Trichomonas vaginalis AGC family protein kinase 0.0204 0.0285 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.0029 0.0029
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0352 0.0919 0.0919
Trypanosoma brucei rac serine-threonine kinase, putative 0.0204 0.0285 0.5
Schistosoma mansoni serine/threonine kinase 0.0204 0.0285 0.1774
Brugia malayi Protein kinase domain containing protein 0.0204 0.0285 0.2872
Brugia malayi Protein kinase domain containing protein 0.0204 0.0285 0.2872
Loa Loa (eye worm) hypothetical protein 0.0144 0.0029 0.0029
Echinococcus multilocularis serine:threonine protein kinase 38 0.0204 0.0285 0.1774
Schistosoma mansoni serine/threonine protein kinase 0.0481 0.1469 1
Schistosoma mansoni unc-13 (munc13) 0.0148 0.0047 0.0122
Entamoeba histolytica protein kinase, putative 0.0204 0.0285 1
Loa Loa (eye worm) hypothetical protein 0.2417 0.9745 0.9745
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0204 0.0285 0.0285
Loa Loa (eye worm) AGC/PKN protein kinase 0.0204 0.0285 0.0285
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0149 0.0048 0.0131
Echinococcus granulosus unc 13 munc13 0.0148 0.0047 0.0122
Schistosoma mansoni serine/threonine protein kinase 0.0204 0.0285 0.1774
Trichomonas vaginalis AGC family protein kinase 0.0204 0.0285 1
Loa Loa (eye worm) hypothetical protein 0.0273 0.058 0.058
Loa Loa (eye worm) AGC/AKT protein kinase 0.0204 0.0285 0.0285
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0148 0.0047 0.0122
Trichomonas vaginalis AGC family protein kinase 0.0204 0.0285 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0204 0.0285 0.1774
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0204 0.0285 0.1774
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0149 0.0048 0.0048
Trichomonas vaginalis AGC family protein kinase 0.0204 0.0285 1
Echinococcus granulosus protein kinase c epsilon type 0.0352 0.0919 0.6176
Trichomonas vaginalis AGC family protein kinase 0.0204 0.0285 1
Echinococcus multilocularis serine threonine protein kinase 0.0337 0.0853 0.5719
Schistosoma mansoni serine/threonine protein kinase 0.0352 0.0919 0.6176
Trichomonas vaginalis AGC family protein kinase 0.0204 0.0285 1
Echinococcus multilocularis unc 13 (munc13) 0.0148 0.0047 0.0122
Echinococcus granulosus protein kinase C gamma type 0.0337 0.0853 0.5719
Loa Loa (eye worm) hypothetical protein 0.0144 0.0029 0.0029
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0149 0.0048 0.0131
Loa Loa (eye worm) hypothetical protein 0.0144 0.0029 0.0029
Brugia malayi Protein kinase c protein 2 0.0281 0.0616 0.66
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0204 0.0285 0.0285
Loa Loa (eye worm) hypothetical protein 0.0148 0.0047 0.0047
Schistosoma mansoni serine/threonine protein kinase 0.0204 0.0285 0.1774
Echinococcus multilocularis serine:threonine protein kinase N2 0.0204 0.0285 0.1774
Schistosoma mansoni protein kinase C 0.0148 0.0047 0.0122
Brugia malayi C1-like domain containing protein 0.0149 0.0048 0.0211
Toxoplasma gondii AGC kinase 0.0204 0.0285 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0204 0.0285 0.1774
Echinococcus granulosus protein kinase c iota type 0.0348 0.0901 0.6054
Brugia malayi p70 ribosomal S6 kinase beta 0.0204 0.0285 0.2872
Loa Loa (eye worm) hypothetical protein 0.0144 0.0029 0.0029
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0144 0.0029 0.0029
Trichomonas vaginalis AGC family protein kinase 0.0204 0.0285 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0481 0.1469 1
Loa Loa (eye worm) RasGEF domain-containing protein 0.0144 0.0029 0.0029
Brugia malayi Protein kinase domain containing protein 0.0204 0.0285 0.2872
Schistosoma mansoni serine/threonine protein kinase 0.0204 0.0285 0.1774
Schistosoma mansoni atypical protein kinase C 0.0348 0.0901 0.6054
Echinococcus granulosus Protein kinase C brain isozyme 0.0481 0.1469 1
Echinococcus multilocularis protein kinase c iota type 0.0348 0.0901 0.6054
Trichomonas vaginalis AGC family protein kinase 0.0204 0.0285 1
Schistosoma mansoni serine/threonine protein kinase 0.0204 0.0285 0.1774
Schistosoma mansoni serine/threonine protein kinase 0.0481 0.1469 1
Onchocerca volvulus 0.2273 0.9128 1
Entamoeba histolytica protein kinase, putative 0.0204 0.0285 1
Loa Loa (eye worm) hypothetical protein 0.2273 0.9128 0.9128
Brugia malayi protein kinase C3,putative 0.0149 0.0048 0.0211
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0149 0.0048 0.0211
Entamoeba histolytica protein kinase, putative 0.0204 0.0285 1
Trichomonas vaginalis AGC family protein kinase 0.0204 0.0285 1
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0148 0.0047 0.0122
Loa Loa (eye worm) hypothetical protein 0.2273 0.9128 0.9128
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0144 0.0029 0.0029
Trichomonas vaginalis AGC family protein kinase 0.0204 0.0285 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0204 0.0285 0.1774
Schistosoma mansoni serine/threonine protein kinase 0.0149 0.0048 0.0131
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0204 0.0285 0.1774
Loa Loa (eye worm) hypothetical protein 0.0144 0.0029 0.0029
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0204 0.0285 0.1774
Loa Loa (eye worm) hypothetical protein 0.2273 0.9128 0.9128
Echinococcus multilocularis serine:threonine protein kinase N2 0.0204 0.0285 0.1774
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0144 0.0029 0.0029
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0204 0.0285 0.0285
Echinococcus granulosus NDR protein kinase 0.0204 0.0285 0.1774

Activities

Activity type Activity value Assay description Source Reference
clogP = -1.23 Calculated partition coefficient (clogP) (Pomona) ChEMBL. 2549245

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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