Detailed information for compound 1525208

Basic information

Technical information
  • TDR Targets ID: 1525208
  • Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridi n-4-ylmethyl)phthalazin-1-one
  • MW: 332.359 | Formula: C18H16N6O
  • H donors: 2 H acceptors: 3 LogP: 1.71 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1[nH]nc(c1)Nc1nn(Cc2ccncc2)c(=O)c2c1cccc2
  • InChi: 1S/C18H16N6O/c1-12-10-16(22-21-12)20-17-14-4-2-3-5-15(14)18(25)24(23-17)11-13-6-8-19-9-7-13/h2-10H,11H2,1H3,(H2,20,21,22,23)
  • InChiKey: CJFBBEOLBIMHEX-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(4-pyridylmethyl)phthalazin-1-one
  • 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(4-pyridylmethyl)-1-phthalazinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aurora kinase A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium vivax serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine-protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K08850 aurora kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Toxoplasma gondii aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Neospora caninum hypothetical protein Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase , putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium berghei serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium falciparum serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium parvum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium knowlesi serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine- protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani Aurora I-related kinase Get druggable targets OG5_127024 All targets in OG5_127024

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
Echinococcus multilocularis thyroid hormone receptor alpha 0.0133 0.3277 0.5214
Trypanosoma cruzi thymidine kinase, putative 0.0244 0.6454 1
Trichomonas vaginalis thymidine kinase, putative 0.0244 0.6454 1
Trypanosoma brucei thymidine kinase 0.0244 0.6454 1
Trypanosoma cruzi thymidine kinase, putative 0.0244 0.6454 1
Brugia malayi serine/threonine protein kinase 6 0.0068 0.1424 1
Loa Loa (eye worm) AUR protein kinase 0.0068 0.1424 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0068 0.1424 0.2265
Entamoeba histolytica thymidine kinase, putative 0.0244 0.6454 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0 0.5
Trichomonas vaginalis thymidine kinase, putative 0.0244 0.6454 1
Echinococcus multilocularis thymidine kinase 0.0238 0.6285 1
Trichomonas vaginalis AGC family protein kinase 0.0068 0.1424 0.2206
Brugia malayi serine/threonine kinase 12 0.0068 0.1424 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0068 0.1424 0.2206
Schistosoma mansoni thymidine kinase 0.0238 0.6285 1
Schistosoma mansoni protein kinase 0.0068 0.1424 0.2265
Trypanosoma brucei aurora B kinase 0.0068 0.1424 0.2206
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0 0.5
Echinococcus granulosus thymidine kinase 0.0238 0.6285 1
Brugia malayi serine/threonine-protein kinase 6 0.0068 0.1424 1
Entamoeba histolytica protein kinase , putative 0.0068 0.1424 0.2206
Trypanosoma cruzi aurora B kinase, putative 0.0068 0.1424 0.2206
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.2995 0.4765
Schistosoma mansoni serine/threonine protein kinase 0.0068 0.1424 0.2265
Schistosoma mansoni thyroid hormone receptor 0.0133 0.3277 0.5214
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0068 0.1424 1
Echinococcus granulosus aurora kinase A 0.0068 0.1424 0.2265
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0133 0.3277 0.5214
Leishmania major thymidine kinase, putative 0.0244 0.6454 1
Trichomonas vaginalis AGC family protein kinase 0.0068 0.1424 0.2206
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0238 0.6285 1
Giardia lamblia Aurora kinase 0.0068 0.1424 0.1424
Leishmania major protein kinase, putative 0.0068 0.1424 0.2206
Echinococcus granulosus thymidine kinase 0.0238 0.6285 1
Entamoeba histolytica protein kinase, putative 0.0068 0.1424 0.2206
Schistosoma mansoni hypothetical protein 0.0051 0.092 0.1464
Echinococcus multilocularis transfer RNA-Ile 0.0238 0.6285 1
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0068 0.1424 0.2265
Entamoeba histolytica protein kinase, putative 0.0068 0.1424 0.2206
Echinococcus multilocularis aurora kinase A 0.0068 0.1424 0.2265
Plasmodium falciparum serine/threonine protein kinase, putative 0.0068 0.1424 1
Loa Loa (eye worm) AUR protein kinase 0.0068 0.1424 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0068 0.1424 0.2206
Trichomonas vaginalis thymidine kinase, putative 0.0244 0.6454 1
Trichomonas vaginalis AGC family protein kinase 0.0068 0.1424 0.2206
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0068 0.1424 0.2206
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.2995 0.4765
Entamoeba histolytica protein kinase domain containing protein 0.0068 0.1424 0.2206
Toxoplasma gondii aurora kinase 0.0068 0.1424 1
Giardia lamblia Thymidine kinase 0.0244 0.6454 0.6454
Loa Loa (eye worm) AUR protein kinase 0.0068 0.1424 1
Trichomonas vaginalis AGC family protein kinase 0.0068 0.1424 0.2206
Echinococcus multilocularis thymidine kinase 0.0238 0.6285 1
Schistosoma mansoni hypothetical protein 0.0123 0.2995 0.4765

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.27 uM Inhibition of Aurora A by ELISA ChEMBL. 21128645
IC50 (functional) = 13 uM Cytotoxicity against human COLO205 cells ChEMBL. 21128645
IC50 (functional) = 20.2 uM Cytotoxicity against human HCT116 cells after 5 days by celltiter-glo assay ChEMBL. 21128645
IC50 (binding) = 27 uM Inhibition of Aurora B by ELISA ChEMBL. 21128645
IC50 (functional) > 30 uM Cytotoxicity against human MCF7 cells ChEMBL. 21128645

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21128645

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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