Detailed information for compound 517172

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.484 | Formula: C25H24N4O2
  • H donors: 3 H acceptors: 2 LogP: 3.64 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNCCc1cn(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cc(CC)cc2
  • InChi: 1S/C25H24N4O2/c1-3-15-8-9-20-18(12-15)19(13-27-20)22-23(25(31)28-24(22)30)29-14-16(10-11-26-2)17-6-4-5-7-21(17)29/h4-9,12-14,26-27H,3,10-11H2,1-2H3,(H,28,30,31)
  • InChiKey: KCQVFCJCZYFNCV-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
Homo sapiens calcium/calmodulin-dependent protein kinase II delta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax calcium-dependent protein kinase, 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
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:calmodulin dependent protein kinase type 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 hypothetical protein 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
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II beta chain, 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
Neospora caninum hypothetical 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
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
Leishmania infantum protein kinase, 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
Echinococcus granulosus 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
Cryptosporidium parvum calmodulin-domain protein kinase 1, 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
Plasmodium vivax calcium-dependent protein kinase 3, putative 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
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 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
Echinococcus multilocularis 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
Cryptosporidium hominis 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
Plasmodium knowlesi calcium-dependent protein kinase 4, putative 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
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type 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
Babesia bovis calcium-dependent protein kinase 4 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
Echinococcus multilocularis calcium dependent protein kinase 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
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 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
Theileria parva calmodulin-domain protein kinase, 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
Trypanosoma brucei calcium/calmodulin-dependent 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
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
Echinococcus granulosus 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
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
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
Schistosoma mansoni protein kinase 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 knowlesi calcium-dependent protein kinase 5, putative 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 yoelii calmodulin-domain protein kinase 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
Plasmodium falciparum calcium-dependent protein kinase 2 Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni protein kinase 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
Neospora caninum Calmodulin-like domain protein kinase isoenzyme gamma, related 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
Schistosoma japonicum ko:K08794 calcium/calmodulin-dependent protein kinase I, 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
Plasmodium vivax calcium-dependent protein kinase 4, putative 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
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
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 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
Leishmania donovani protein kinase, 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 falciparum calcium-dependent protein kinase 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
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
Leishmania mexicana 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
Plasmodium yoelii calcium-dept. 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 knowlesi calcium-dependent protein kinase 3, putative 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
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.007 0.0098 0.0098
Trypanosoma brucei deoxyuridine triphosphatase, putative 0.0369 0.1367 0.1282
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.2406 1 1
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0137 0.0381 0.0286
Onchocerca volvulus 0.2406 1 1
Leishmania major deoxyuridine triphosphatase, putative,dUTP diphosphatase 0.0369 0.1367 0.1282
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0152 0.0445 0.035
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0151 0.0441 0.0346
Treponema pallidum thymidylate kinase (tmk) 0.007 0.0098 0.5
Toxoplasma gondii orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase 0.0137 0.0381 0.0381
Mycobacterium ulcerans FAD-dependent thymidylate synthase 0.1851 0.7648 0.7648
Echinococcus multilocularis thymidylate synthase 0.2406 1 1
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0151 0.0441 0.0346
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.0133 0.0367 0.0271
Giardia lamblia CDC8 0.007 0.0098 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1145 0.4653 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0152 0.0445 0.035
Entamoeba histolytica Thymidylate kinase, putative 0.007 0.0098 0.5
Mycobacterium tuberculosis Hypothetical protein 0.1145 0.4653 0.4653
Trypanosoma cruzi deoxyuridine triphosphatase, putative 0.0369 0.1367 0.1282
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.2406 1 1
Schistosoma mansoni protein kinase 0.0152 0.0445 0.035
Trypanosoma cruzi deoxyuridine triphosphatase, putative 0.0369 0.1367 0.1282
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.2406 1 1
Plasmodium falciparum thymidylate kinase 0.007 0.0098 0.0098
Schistosoma mansoni protein kinase 0.0152 0.0445 0.035
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.2406 1 1
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0151 0.0441 0.0346
Toxoplasma gondii thymidylate kinase 0.007 0.0098 0.0098
Wolbachia endosymbiont of Brugia malayi orotidine-5'-phosphate decarboxylase 0.067 0.2639 1
Echinococcus granulosus uridine 5' monophosphate synthase 0.0151 0.0441 0.0346
Plasmodium vivax thymidylate kinase, putative 0.007 0.0098 0.0098
Brugia malayi orotate phosphoribosyltransferase family protein 0.0151 0.0441 0.0346
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.007 0.0098 0.0098
Onchocerca volvulus 0.0565 0.2199 0.2121
Loa Loa (eye worm) thymidylate synthase 0.2406 1 1
Schistosoma mansoni protein kinase 0.0152 0.0445 0.035
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.2406 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.1145 0.4653 0.46
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.2406 1 1
Mycobacterium ulcerans thymidylate kinase 0.007 0.0098 0.0098
Leishmania major dihydrofolate reductase-thymidylate synthase 0.2406 1 1
Mycobacterium ulcerans thymidylate synthase 0.2406 1 1
Mycobacterium ulcerans orotidine 5'-phosphate decarboxylase 0.0137 0.0381 0.0381
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0133 0.0367 0.0271
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0151 0.0441 0.0346
Chlamydia trachomatis thymidylate kinase 0.007 0.0098 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.2406 1 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyX (ts) (TSase) 0.1851 0.7648 0.7648
Mycobacterium leprae Probable orotidine 5'-phosphate decarboxylase PyrF (OMP decarboxylase) (OMPDCase) (OMPdecase) 0.0137 0.0381 0.0381
Brugia malayi hypothetical protein 0.1145 0.4653 0.46
Echinococcus granulosus thymidylate synthase 0.2406 1 1
Plasmodium falciparum orotidine 5'-phosphate decarboxylase 0.0137 0.0381 0.0381
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0151 0.0441 0.0346
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0151 0.0441 0.0346
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.2406 1 1
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0151 0.0441 0.0346
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYX (TS) (TSase) 0.1851 0.7648 0.7648
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.007 0.0098 0.0372
Plasmodium vivax orotidine 5'-phosphate decarboxylase, putative 0.0137 0.0381 0.0381

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.11 uM Inhibition of CaMK2delta (unknown origin) ChEMBL. 18337095
IC50 (binding) = 0.11 uM Inhibition of CaMK2delta (unknown origin) ChEMBL. 18337095

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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