Detailed information for compound 329381

Basic information

Technical information
  • TDR Targets ID: 329381
  • Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(6-metho xypyrazolo[5,1-f]pyridazin-3-yl)pyrimidin-2-a mine
  • MW: 454.329 | Formula: C19H12F6N6O
  • H donors: 1 H acceptors: 4 LogP: 4.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2n(n1)ncc2c1ccnc(n1)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
  • InChi: 1S/C19H12F6N6O/c1-32-16-3-2-15-13(9-27-31(15)30-16)14-4-5-26-17(29-14)28-12-7-10(18(20,21)22)6-11(8-12)19(23,24)25/h2-9H,1H3,(H,26,28,29)
  • InChiKey: PHJRPJMEZGTTKC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3,5-bis(trifluoromethyl)phenyl]-4-(6-methoxy-3-pyrazolo[5,1-f]pyridazinyl)-2-pyrimidinamine
  • [3,5-bis(trifluoromethyl)phenyl]-[4-(6-methoxypyrazolo[5,1-f]pyridazin-3-yl)pyrimidin-2-yl]amine
  • pyrazolo[1,5-b]pyridazine deriv. 49

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin-dependent kinase 3 Starlite/ChEMBL References
Homo sapiens glycogen synthase kinase 3 beta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Theileria parva glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia Kinase, CMGC GSK Get druggable targets OG5_126888 All targets in OG5_126888
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania mexicana protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium knowlesi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Kinase, CMGC GSK Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum ko:K08822 glycogen synthase kinase 3 alpha, putative Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi intracellular kinase Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative Get druggable targets OG5_126888 All targets in OG5_126888
Neospora caninum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Onchocerca volvulus Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania donovani glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium berghei glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium falciparum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus granulosus glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans Serine/threonine protein kinase required for induction of IME2 by Ime1p Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Theileria parva cell division control protein 2 related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium vivax glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) Get druggable targets OG5_126888 All targets in OG5_126888
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 3 305 aa 303 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0311 0.042
Echinococcus granulosus cyclin dependent kinase 0.0053 0.0311 0.0311
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0311 0.042
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0048 0.0211 0.0211
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0059 0.0425 1
Echinococcus multilocularis cyclin dependent kinase 0.0053 0.0311 0.0311
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0059 0.0425 1
Giardia lamblia Kinase, CMGC GSK 0.0059 0.0425 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0277 0.0277
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0311 0.1526
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0311 0.0311
Trypanosoma brucei protein kinase, putative 0.0059 0.0425 1
Brugia malayi cell division control protein 2 homolog 0.0053 0.0311 0.1163
Echinococcus granulosus Ankyrin 0.0048 0.0216 0.0216
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0425 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0554 1 1
Brugia malayi Protein kinase domain containing protein 0.0053 0.0311 0.1163
Plasmodium falciparum glycogen synthase kinase 3 0.0059 0.0425 1
Echinococcus multilocularis netrin receptor unc 5 0.0048 0.0211 0.0211
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0059 0.0425 0.0425
Brugia malayi bZIP transcription factor family protein 0.0175 0.2671 1
Entamoeba histolytica protein kinase domain containing protein 0.0059 0.0425 1
Echinococcus granulosus cyclin dependent kinase 5 0.0053 0.0311 0.0311
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0059 0.0425 0.0904
Schistosoma mansoni ankyrin 23/unc44 0.0048 0.0211 0.1038
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.0311 0.042
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0425 1
Echinococcus multilocularis protein kinase shaggy 0.0059 0.0425 0.0425
Schistosoma mansoni netrin receptor unc5 0.0048 0.0211 0.1038
Schistosoma mansoni hypothetical protein 0.0142 0.2035 1
Brugia malayi Death domain containing protein 0.0048 0.0211 0.0791
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0048 0.0211 0.0211
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0311 0.7305
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0175 0.2671 0.2671
Entamoeba histolytica protein kinase domain containing protein 0.0059 0.0425 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0059 0.0425 1
Echinococcus granulosus death domain containing protein 0.0048 0.0211 0.0211
Onchocerca volvulus 0.0059 0.0425 0.1236
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0059 0.0425 0.0425
Loa Loa (eye worm) hypothetical protein 0.017 0.2578 1
Brugia malayi hypothetical protein 0.0138 0.1942 0.7273
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0053 0.0311 0.0311
Brugia malayi intracellular kinase 0.0059 0.0425 0.1592
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0311 0.1526
Echinococcus multilocularis Ankyrin 0.0048 0.0216 0.0216
Entamoeba histolytica protein kinase, putative 0.0059 0.0425 1
Echinococcus multilocularis jun protein 0.0175 0.2671 0.2671
Brugia malayi Immunoglobulin I-set domain containing protein 0.0048 0.0211 0.0791
Giardia lamblia Kinase, CMGC GSK 0.0059 0.0425 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0059 0.0425 0.0904
Brugia malayi Uncoordinated protein 44 0.0048 0.0211 0.0791
Schistosoma mansoni jun-related protein 0.0142 0.2035 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0175 0.2671 0.2671
Echinococcus granulosus jun protein 0.0175 0.2671 0.2671
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0311 0.7305
Onchocerca volvulus 0.0138 0.1942 1
Echinococcus granulosus cyclin dependent kinase 1 0.0053 0.0311 0.0311
Loa Loa (eye worm) hypothetical protein 0.0048 0.0216 0.0021
Echinococcus granulosus netrin receptor unc 5 0.0048 0.0211 0.0211
Echinococcus granulosus protein kinase shaggy 0.0059 0.0425 0.0425
Plasmodium vivax glycogen synthase kinase 3, putative 0.0059 0.0425 1
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0048 0.0216 0.1062
Brugia malayi Protein kinase domain containing protein 0.005 0.0245 0.0918
Schistosoma mansoni hypothetical protein 0.0048 0.0211 0.1038
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0311 0.0311
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0059 0.0425 0.2089
Echinococcus multilocularis cyclin dependent kinase 5 0.0053 0.0311 0.0311

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) uM Binding affinity for human cyclin-dependent kinase 4; ND= Not determined ChEMBL. 15341487
Ki (binding) 0 uM Binding affinity for human cyclin-dependent kinase 4; ND= Not determined ChEMBL. 15341487
Ki (binding) = 0.63 uM Binding affinity for human glycogen synthase kinase 3 beta ChEMBL. 15341487
Ki (binding) = 0.63 uM Binding affinity for human glycogen synthase kinase 3 beta ChEMBL. 15341487
Ki (binding) > 19.95 uM Binding affinity for human cyclin-dependent kinase 2 ChEMBL. 15341487
Ki (binding) > 19.95 uM Binding affinity for human cyclin-dependent kinase 2 ChEMBL. 15341487

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.