Detailed information for compound 1525887

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.493 | Formula: C23H26N6
  • H donors: 1 H acceptors: 3 LogP: 3.91 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCC(CC1)n1nc(c2c1ncnc2N)Cc1cccc2c1cccc2
  • InChi: 1S/C23H26N6/c1-2-28-12-10-18(11-13-28)29-23-21(22(24)25-15-26-23)20(27-29)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-9,15,18H,2,10-14H2,1H3,(H2,24,25,26)
  • InChiKey: BSGWEWBSWAVORO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Toxoplasma gondii calcium-dependent protein kinase CDPK3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium berghei calcium-dependent protein kinase 3 Get druggable targets OG5_126600 All targets in OG5_126600
Toxoplasma gondii calcium-dependent protein kinase CDPK2A Get druggable targets OG5_126600 All targets in OG5_126600
Toxoplasma gondii calcium-dependent protein kinase CDPK3 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium vivax calcium-dependent protein kinase 4, putative Get druggable targets OG5_126600 All targets in OG5_126600
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium parvum calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium parvum calmodulin-domain protein kinase 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium yoelii calcium-dept. protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Candida albicans Serine-threonine protein kinase similar to S. cerevisiae CMK2 (YOL016C) calcium/calmodulin-dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium parvum calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium berghei calcium-dependent protein kinase 1 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium yoelii calmodulin-domain protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II beta chain, putative Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II delta chain, putative Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum ko:K04515 calcium/calmodulin-dependent protein kinase (CaM kinase) II, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 5 Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium parvum calcium/calmodulin dependent protein kinase with a kinas domain and 4 calmodulin-like EF hands Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 2 Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Babesia bovis calcium-dependent protein kinase 4 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium yoelii Plasmodium falciparum CDPK2 protein Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium berghei calcium-dependent protein kinase 4 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium vivax calcium-dependent protein kinase 3, putative Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium berghei calcium-dependent protein kinase 5 Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Toxoplasma gondii calcium-dependent protein kinase CDPK2B Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium knowlesi calcium-dependent protein kinase 3, putative Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania donovani protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis CDPK2 Get druggable targets OG5_126600 All targets in OG5_126600
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium knowlesi calcium-dependent protein kinase 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium knowlesi calcium-dependent protein kinase 5, putative Get druggable targets OG5_126600 All targets in OG5_126600
Loa Loa (eye worm) CAMK/CAMK2 protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 1 Get druggable targets OG5_126600 All targets in OG5_126600
Theileria parva calmodulin-domain protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium vivax calcium-dependent protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum ko:K08794 calcium/calmodulin-dependent protein kinase I, putative Get druggable targets OG5_126600 All targets in OG5_126600
Brugia malayi Cam kinase protein 1 Get druggable targets OG5_126600 All targets in OG5_126600
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis calmodulin-domain protein kinase 1 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium vivax calcium-dependent protein kinase 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Theileria parva calcium-dependent protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus calcium dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis calcium-dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium knowlesi calcium-dependent protein kinase 4, putative Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania infantum protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 4 Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum Calcium-dependent protein kinase 2, related Get druggable targets OG5_126600 All targets in OG5_126600
Candida albicans Serine-threonine protein kinase similar to S. cerevisiae CMK2 (YOL016C) calcium/calmodulin-dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II alpha chain, putative Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium yoelii calcium-dependent protein kinase-3 Get druggable targets OG5_126600 All targets in OG5_126600
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 3 Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum Calmodulin-like domain protein kinase isoenzyme gamma, related Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain Get druggable targets OG5_126600 All targets in OG5_126600
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 calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0011
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Entamoeba histolytica bromodomain-containing protein 0.0067 0.1533 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Trichomonas vaginalis bromodomain-containing protein, putative 0.0148 0.4082 1
Plasmodium falciparum calcium-dependent protein kinase 5 0.0018 0.0012 0.5
Toxoplasma gondii bromodomain-containing protein 0.0067 0.1533 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.4082 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Echinococcus multilocularis Bromodomain containing protein 0.0067 0.1533 0.1533
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0018 0.0011 0.0011
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0018 0.0011 0.5
Plasmodium falciparum calcium-dependent protein kinase 4 0.0018 0.0012 0.5
Echinococcus granulosus bromodomain containing 2 0.0148 0.4082 0.4082
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0049 0.0977 0.2372
Echinococcus multilocularis bromodomain containing 2 0.0148 0.4082 0.4082
Schistosoma mansoni bromodomain-containing protein 3 brd3 0.0148 0.4082 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Trichomonas vaginalis bromodomain-containing protein, putative 0.0092 0.2339 0.5719
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Trichomonas vaginalis bromodomain-containing protein, putative 0.0148 0.4082 1
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.2339 0.5719
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Brugia malayi Bromodomain containing protein 0.0148 0.4082 1
Trichomonas vaginalis bromodomain containing protein, putative 0.0092 0.2339 0.5719
Giardia lamblia Kinase, putative 0.0067 0.1533 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0011
Brugia malayi hypothetical protein 0.0055 0.1172 0.2852
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Trichomonas vaginalis bromodomain-containing protein 4, brd4, putative 0.0067 0.1533 0.3739
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0018 0.0012 0.5
Loa Loa (eye worm) CBP-B 0.008 0.1937 0.4732
Trichomonas vaginalis bromodomain-containing protein, putative 0.0092 0.2339 0.5719
Brugia malayi TAZ zinc finger family protein 0.0111 0.2906 0.7111
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Entamoeba histolytica bromodomain-containing protein 0.0067 0.1533 1
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.1978 0.4832
Echinococcus granulosus CREB binding protein 0.0111 0.2906 0.2906
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.1533 0.3739
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0011
Entamoeba histolytica bromodomain-containing protein 0.0067 0.1533 1
Plasmodium falciparum calcium-dependent protein kinase 1 0.0018 0.0012 0.5
Echinococcus multilocularis CREB binding protein 0.0079 0.191 0.191
Onchocerca volvulus 0.0067 0.1533 1
Echinococcus granulosus CREB binding protein 0.0072 0.1691 0.1691
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Plasmodium falciparum calcium-dependent protein kinase 2 0.0018 0.0012 0.5
Echinococcus multilocularis tumor protein p63 0.0336 1 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Leishmania major protein kinase, putative 0.0018 0.0011 0.5
Brugia malayi Bromodomain containing protein 0.0148 0.4082 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0918 0.2228
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0067 0.1533 0.3739
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0011
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0011
Schistosoma mansoni CREB-binding protein 2 0.0111 0.2906 0.7111
Plasmodium vivax calcium-dependent protein kinase, putative 0.0018 0.0012 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0092 0.2339 0.5719
Trichomonas vaginalis bromodomain containing protein, putative 0.0067 0.1533 0.3739
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0011
Loa Loa (eye worm) bromodomain containing protein 0.0067 0.1533 0.3739
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Plasmodium falciparum calcium-dependent protein kinase 3 0.0018 0.0012 0.5
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0111 0.2906 0.7111
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0977 0.2372
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0018 0.0012 0.5
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0018 0.0012 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0067 0.1533 0.3739

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 36 nM Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90 mins by luminescence based scintillation counter ChEMBL. 21116453
Inhibition (binding) Inhibition of SRC catalytic domain assessed as inhibition of [gamma-33P]ATP incorporation into Ac-EIYGEFKKK-OH substrate after 30 mins by phosphor imaging analysis ChEMBL. 21116453

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.