Detailed information for compound 1516888

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 309.366 | Formula: C17H19N5O
  • H donors: 1 H acceptors: 3 LogP: 2.56 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncnc2c1c(nn2C(C)C)c1ccc2c(c1)CCCO2
  • InChi: 1S/C17H19N5O/c1-10(2)22-17-14(16(18)19-9-20-17)15(21-22)12-5-6-13-11(8-12)4-3-7-23-13/h5-6,8-10H,3-4,7H2,1-2H3,(H2,18,19,20)
  • InChiKey: QGKJNBCCMVIKIT-UHFFFAOYSA-N  

Network

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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
Toxoplasma gondii calcium-dependent protein kinase CDPK3 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 knowlesi calcium-dependent protein kinase 4, putative 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
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
Plasmodium vivax calcium-dependent protein kinase 1, 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 vivax calcium-dependent protein kinase 3, 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
Plasmodium falciparum calcium-dependent protein kinase 1 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
Leishmania major protein kinase, 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
Trypanosoma brucei gambiense protein kinase, putative 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
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II beta chain, putative Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis CDPK2 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
Leishmania donovani protein kinase, putative 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
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
Plasmodium knowlesi calcium-dependent protein kinase 3, 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
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 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
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type 1, 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 multilocularis 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
Neospora caninum Calcium-dependent protein kinase 2, 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
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 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
Schistosoma mansoni protein kinase 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
Plasmodium berghei calcium-dependent protein kinase 3 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
Schistosoma mansoni serine/threonine protein kinase 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
Cryptosporidium hominis calcium-dependent protein kinase 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
Plasmodium yoelii calcium-dependent protein kinase-3 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
Trypanosoma congolense protein kinase, putative 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
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 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
Plasmodium vivax calcium-dependent 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
Loa Loa (eye worm) CAMK/CAMK2 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
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
Echinococcus granulosus calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum hypothetical protein 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
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 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
Plasmodium falciparum calcium-dependent protein kinase 4 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
Plasmodium berghei calcium-dependent protein kinase 1 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
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 parvum calmodulin-domain protein kinase 1, putative 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
Leishmania mexicana 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
Theileria parva calcium-dependent 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
Neospora caninum Calmodulin-like domain protein kinase isoenzyme gamma, related 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
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II alpha chain, putative 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
Echinococcus multilocularis calcium dependent protein kinase 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
Trypanosoma congolense protein kinase, putative 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
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 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
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 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
Trichomonas vaginalis CAMK family protein kinase 0.0018 0.0024 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.006 0.2795 0.5
Plasmodium falciparum calcium-dependent protein kinase 4 0.0018 0.0025 0.5
Brugia malayi cytochrome P450 0.006 0.2795 0.2778
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0018 0.0025 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.006 0.2795 0.5
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0018 0.0025 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0018 0.0024 0.0086
Loa Loa (eye worm) hypothetical protein 0.0049 0.2094 0.2075
Trypanosoma cruzi cytochrome P450, putative 0.0109 0.6103 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.006 0.2795 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.006 0.2795 0.5
Brugia malayi Cytochrome P450 family protein 0.0109 0.6103 0.6094
Entamoeba histolytica protein kinase, putative 0.0018 0.0024 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0109 0.6103 1
Plasmodium vivax calcium-dependent protein kinase, putative 0.0018 0.0025 0.5
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0024 0.0086
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.006 0.2795 0.5
Plasmodium falciparum calcium-dependent protein kinase 3 0.0018 0.0025 0.5
Entamoeba histolytica protein kinase, putative 0.0018 0.0024 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.006 0.2795 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.006 0.2795 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.006 0.2795 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0024 0.0086
Echinococcus multilocularis 0.006 0.2795 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0024 0.0086
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.006 0.2795 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.006 0.2795 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0024 0.0086
Leishmania major cytochrome p450-like protein 0.006 0.2795 0.4558
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.006 0.2795 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.006 0.2795 0.5
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.006 0.2795 0.4558
Trypanosoma brucei cytochrome P450, putative 0.0109 0.6103 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0024 0.0086
Schistosoma mansoni cytochrome P450 0.006 0.2795 1
Plasmodium falciparum calcium-dependent protein kinase 2 0.0018 0.0025 0.5
Loa Loa (eye worm) cytochrome P450 0.006 0.2795 0.2778
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.006 0.2795 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.006 0.2795 0.5
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0018 0.0025 0.5
Echinococcus granulosus cytochrome P450 2K1 0.006 0.2795 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.006 0.2795 1
Mycobacterium leprae putative cytochrome p450 0.006 0.2795 0.5
Leishmania major lanosterol 14-alpha-demethylase, putative 0.006 0.2795 0.4558
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0024 0.0086
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.006 0.2795 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.006 0.2795 0.5
Schistosoma mansoni hypothetical protein 0.006 0.2795 1
Plasmodium falciparum calcium-dependent protein kinase 5 0.0018 0.0025 0.5
Brugia malayi Cytochrome P450 family protein 0.006 0.2795 0.2778
Loa Loa (eye worm) cytochrome P450 family protein 0.0109 0.6103 0.6094
Brugia malayi Cytochrome P450 family protein 0.0109 0.6103 0.6094
Mycobacterium leprae Conserved hypothetical protein 0.006 0.2795 0.5
Plasmodium falciparum calcium-dependent protein kinase 1 0.0018 0.0025 0.5
Leishmania major cytochrome p450-like protein 0.0109 0.6103 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.006 0.2795 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.006 0.2795 0.5
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0024 0.0086
Loa Loa (eye worm) cytochrome P450 family protein 0.0109 0.6103 0.6094
Leishmania major cytochrome p450-like protein 0.006 0.2795 0.4558
Loa Loa (eye worm) CYP4Cod1 0.0109 0.6103 0.6094
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.006 0.2795 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0109 0.6103 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.006 0.2795 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 17 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

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.