Detailed information for compound 988678

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 416.491 | Formula: C25H25FN4O
  • H donors: 2 H acceptors: 3 LogP: 3.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1CCC(CC1)c1ccc2c(c1)[nH]c(c2c1ccncn1)c1ccc(cc1)F
  • InChi: 1S/C25H25FN4O/c26-20-4-1-18(2-5-20)25-24(22-7-10-27-16-28-22)21-6-3-19(15-23(21)29-25)17-8-11-30(12-9-17)13-14-31/h1-7,10,15-17,29,31H,8-9,11-14H2
  • InChiKey: BCYXFERZFSAFEC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Eimeria tenella cGMP-dependent protein kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum cGMP-dependent protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Neospora caninum AGC kinase TgPKG1, putative Get druggable targets OG5_127599 All targets in OG5_127599
Cryptosporidium parvum cyclic nucleotide (cGMP)-dependent protein kinase with 3 cNMP binding domains and a Ser/Thr kinase domain Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma japonicum cGMP-dependent protein kinase, isozyme 1, putative Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma japonicum expressed protein Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma japonicum cGMP-dependent protein kinase 2, putative Get druggable targets OG5_127599 All targets in OG5_127599
Echinococcus multilocularis cGMP dependent protein kinase 1 Get druggable targets OG5_127599 All targets in OG5_127599
Loa Loa (eye worm) AGC/PKG protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma japonicum ko:K07376 protein kinase, cGMP-dependent, putative Get druggable targets OG5_127599 All targets in OG5_127599
Plasmodium berghei cGMP-dependent protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma japonicum ko:K07376 protein kinase, cGMP-dependent, putative Get druggable targets OG5_127599 All targets in OG5_127599
Plasmodium yoelii cGMP-dependent protein kinase-related Get druggable targets OG5_127599 All targets in OG5_127599
Echinococcus granulosus cGMP dependent protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Echinococcus granulosus cGMP dependent protein kinase 1 Get druggable targets OG5_127599 All targets in OG5_127599
Cryptosporidium hominis cGMP-dependent protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Brugia malayi Egg laying defective protein 4 Get druggable targets OG5_127599 All targets in OG5_127599
Theileria parva cGMP-dependent protein kinase, putative Get druggable targets OG5_127599 All targets in OG5_127599
Plasmodium knowlesi cGMP-dependent protein kinase, putative Get druggable targets OG5_127599 All targets in OG5_127599
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_127599 All targets in OG5_127599
Babesia bovis cGMP dependent protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma japonicum cGMP-dependent protein kinase, isozyme 1, putative Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma japonicum cGMP-dependent protein kinase, isozyme 2 forms cD4/T1/T3A/T3B, putative Get druggable targets OG5_127599 All targets in OG5_127599
Echinococcus multilocularis cGMP dependent protein kinase 1 Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Echinococcus granulosus cGMP dependent protein kinase 1 Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma japonicum cGMP-dependent protein kinase, isozyme 1, putative Get druggable targets OG5_127599 All targets in OG5_127599
Toxoplasma gondii protein kinase G AGC kinase family member PKG Get druggable targets OG5_127599 All targets in OG5_127599
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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0469 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0923 0.0476
Echinococcus multilocularis expressed conserved protein 0.006 0.2283 0.1903
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0876 0.0427
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0923 0.1009
Echinococcus granulosus vesicular acetylcholine transporter 0.0214 0.9081 0.9036
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0469 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0923 0.0476
Schistosoma mansoni serine/threonine protein kinase 0.006 0.2283 0.2507
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0923 0.2504
Schistosoma mansoni vesicular acetylcholine transporter 0.0214 0.9081 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0923 0.1009
Plasmodium vivax SET domain protein, putative 0.0029 0.0923 1
Schistosoma mansoni serine/threonine protein kinase 0.006 0.2283 0.2507
Echinococcus multilocularis vesicular acetylcholine transporter 0.0214 0.9081 0.9036
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0469 0.5
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0214 0.9081 0.9207
Echinococcus granulosus cGMP dependent protein kinase 0.006 0.2283 0.1903
Echinococcus granulosus cGMP dependent protein kinase 1 0.006 0.2283 0.1903
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0923 0.1009
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2357 0.2589
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0469 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0469 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2357 0.2589
Echinococcus granulosus tar DNA binding protein 0.0062 0.2357 0.1981
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2357 0.1981
Brugia malayi vesicular acetylcholine transporter unc-17 0.0214 0.9081 0.9036
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0923 0.0476
Onchocerca volvulus 0.0048 0.1758 0.0942
Schistosoma mansoni ap endonuclease 0.0019 0.0469 0.0509
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1758 0.1352
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2357 0.1981
Loa Loa (eye worm) RNA binding protein 0.0062 0.2357 0.1981
Echinococcus multilocularis cGMP dependent protein kinase 1 0.006 0.2283 0.1903
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2357 0.2589
Brugia malayi Pre-SET motif family protein 0.0202 0.8553 0.8482
Mycobacterium ulcerans hypothetical protein 0.0059 0.2266 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0923 0.0476
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2357 0.1981
Plasmodium falciparum cGMP-dependent protein kinase 0.006 0.2283 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.1758 0.1929
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0469 1
Brugia malayi TAR-binding protein 0.0062 0.2357 0.1981
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0469 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0469 1
Brugia malayi RNA binding protein 0.0062 0.2357 0.1981
Loa Loa (eye worm) hypothetical protein 0.0235 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0235 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.0469 0.0509
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2357 0.2589
Schistosoma mansoni hypothetical protein 0.0048 0.1758 0.1929
Brugia malayi Pre-SET motif family protein 0.0029 0.0923 0.0476
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.8553 0.8482
Loa Loa (eye worm) AGC/PKG protein kinase 0.006 0.2283 0.1903
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0469 0.207
Onchocerca volvulus 0.023 0.9784 1
Brugia malayi Egg laying defective protein 4 0.006 0.2283 0.1903
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0469 0.5
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0214 0.9081 0.9036
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.006 0.2283 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0923 0.1009
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2357 0.2589
Echinococcus multilocularis cGMP dependent protein kinase 1 0.006 0.2283 0.1903
Echinococcus multilocularis survival motor neuron protein 1 0.0235 1 1
Echinococcus granulosus cGMP dependent protein kinase 1 0.006 0.2283 0.1903
Trichomonas vaginalis set domain proteins, putative 0.023 0.9784 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2357 0.1981

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.8 nM Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase ChEMBL. 19195883

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

No literature references available for this target.

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