Detailed information for compound 430777

Basic information

Technical information
  • TDR Targets ID: 430777
  • Name: 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1 ,5-a][1,3,5]triazine-8-carbonitrile
  • MW: 347.417 | Formula: C19H21N7
  • H donors: 2 H acceptors: 4 LogP: 4.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cnn2c1nc(NCC1CCCCC1)nc2Nc1ccccc1
  • InChi: 1S/C19H21N7/c20-11-15-13-22-26-17(15)24-18(21-12-14-7-3-1-4-8-14)25-19(26)23-16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,12H2,(H2,21,23,24,25)
  • InChiKey: NCVMTHVSAJMOPI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-anilino-2-(cyclohexylmethylamino)-8-pyrazolo[1,5-a][1,3,5]triazinecarbonitrile
  • 2-(cyclohexylmethylamino)-4-phenylazanyl-pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
  • 2-(cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
  • 2-(cyclohexylmethylamino)-4-(phenylamino)-8-pyrazolo[1,5-a][1,3,5]triazinecarbonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens casein kinase 2, alpha 1 polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Casein kinase II, alpha chain Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Casein kinase II alpha' subunit Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma cruzi casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium yoelii Protein kinase domain Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma japonicum ko:K03097 casein kinase 2, alpha polypeptide, putative Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania major casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Cryptosporidium hominis protein kinase domain Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma brucei gambiense casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans likely protein kinase similar to S. cerevisiae CKA1 (YIL035C) alpha subunit of protein kinase 2, aka casein kinase II Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania infantum casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Toxoplasma gondii CMGC kinase, CK2 family Get druggable targets OG5_126901 All targets in OG5_126901
Babesia bovis casein kinase II, alpha chain (CK II) Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania mexicana casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania donovani casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium falciparum casein kinase 2, alpha subunit Get druggable targets OG5_126901 All targets in OG5_126901
Giardia lamblia Kinase, CMGC CK2 Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania braziliensis casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium vivax casein kinase 2, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Entamoeba histolytica casein kinase, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma brucei Casein kinase II Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus granulosus casein kinase ii subunit alpha Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma congolense casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Loa Loa (eye worm) CMGC/CK2 protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Casein kinase II alpha' subunit Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium berghei casein kinase 2, alpha subunit Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium vivax unspecified product Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus multilocularis casein kinase ii subunit alpha Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma mansoni protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126901 All targets in OG5_126901
Neospora caninum hypothetical protein Get druggable targets OG5_126901 All targets in OG5_126901
Cryptosporidium parvum casein kinase II, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Theileria parva casein kinase II, alpha chain Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium knowlesi casein kinase 2, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi casein kinase II, alpha chain, putative casein kinase 2, alpha 1 polypeptide 391 aa 316 aa 51.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans amidase 0.0317 0.0926 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0317 0.0926 0.0926
Trypanosoma cruzi amidase, putative 0.0317 0.0926 0.3579
Loa Loa (eye worm) amidase 0.0317 0.0926 0.0926
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0317 0.0926 1
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0317 0.0926 0.0926
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0317 0.0926 0.0926
Loa Loa (eye worm) hypothetical protein 0.2626 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0739 0.2586 1
Brugia malayi putative amidase 0.0317 0.0926 0.0926
Toxoplasma gondii CMGC kinase, CK2 family 0.0081 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0317 0.0926 0.0926
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0317 0.0926 0.5
Mycobacterium ulcerans peptide amidase, GatA 0.0317 0.0926 1
Entamoeba histolytica protein kinase domain containing protein 0.0081 0 0.5
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0317 0.0926 1
Trypanosoma cruzi amidase, putative 0.0317 0.0926 0.3579
Leishmania major hypothetical protein, conserved 0.0739 0.2586 1
Entamoeba histolytica casein kinase, putative 0.0081 0 0.5
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0317 0.0926 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.2626 1 1
Trichomonas vaginalis lipase containing protein, putative 0.0739 0.2586 1
Trypanosoma brucei lipase domain protein, putative 0.0739 0.2586 1
Mycobacterium ulcerans amidase 0.0317 0.0926 1
Brugia malayi Lipase family protein 0.0739 0.2586 0.2586
Loa Loa (eye worm) amidase 0.0317 0.0926 0.0926
Giardia lamblia Kinase, CMGC CK2 0.0081 0 0.5
Mycobacterium ulcerans amidase 0.0317 0.0926 1
Trypanosoma cruzi hypothetical protein, conserved 0.0739 0.2586 1
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0317 0.0926 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.2626 1 1
Schistosoma mansoni amidase 0.2626 1 1
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0317 0.0926 1
Trypanosoma brucei lipase domain protein, putative 0.0739 0.2586 1
Schistosoma mansoni fatty-acid amide hydrolase 0.2626 1 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0317 0.0926 0.5
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0317 0.0926 0.3579
Brugia malayi Amidase family protein 0.0317 0.0926 0.0926
Mycobacterium ulcerans amidase 0.0317 0.0926 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.2626 1 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.2626 1 1
Onchocerca volvulus 0.0739 0.2586 0.5
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0317 0.0926 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0317 0.0926 0.0926
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0317 0.0926 1
Leishmania major hypothetical protein, conserved 0.0317 0.0926 0.3579
Trichomonas vaginalis lipase containing protein, putative 0.0739 0.2586 1
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0317 0.0926 1
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0739 0.2586 0.2586
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0317 0.0926 1
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0739 0.2586 0.2586
Mycobacterium ulcerans amidase 0.0317 0.0926 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0317 0.0926 0.5
Brugia malayi Amidase family protein 0.0317 0.0926 0.0926
Loa Loa (eye worm) lipase 0.0739 0.2586 0.2586
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0317 0.0926 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.0317 0.0926 0.0926

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.008 uM Inhibition of human CK2 alpha ChEMBL. 17540560
Ki (binding) = 0.008 uM Inhibition of human CK2 alpha ChEMBL. 17540560

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.