Detailed information for compound 1149124

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 389.396 | Formula: C20H21F2N3O3
  • H donors: 2 H acceptors: 3 LogP: 0.82 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@@H]1C[C@H]2CC[C@@H](C1)N2c1c(F)cc2c(c1F)n(cc(c2=O)C(=O)O)C1CC1
  • InChi: 1S/C20H21F2N3O3/c21-15-7-13-17(24(10-1-2-10)8-14(19(13)26)20(27)28)16(22)18(15)25-11-3-4-12(25)6-9(23)5-11/h7-12H,1-6,23H2,(H,27,28)/t9-,11-,12+
  • InChiKey: DSZNDPYATDNBQS-WLLOZRIZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 granulosus 3'partial|tyrosine protein kinase Fgr 0.0079 0.1815 0.4834
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0079 0.1815 0.4834
Echinococcus granulosus tyrosine protein kinase Src64B 0.0079 0.1815 0.4834
Echinococcus multilocularis NCK adaptor protein 0.004 0.0504 0.1309
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0135 0.3737 1
Schistosoma mansoni adapter molecule crk 0.004 0.0504 0.1349
Schistosoma mansoni serine/threonine protein kinase 0.0135 0.3737 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0046 0.0701 0.1838
Schistosoma mansoni growth factor receptor-bound protein 0.004 0.0504 0.1349
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0046 0.0701 0.1838
Brugia malayi Variant SH3 domain containing protein 0.004 0.0504 0.1309
Trichomonas vaginalis AGC family protein kinase 0.0135 0.3737 1
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0133 0.3684 0.9858
Schistosoma mansoni tyrosine kinase 0.0079 0.1815 0.4858
Loa Loa (eye worm) hypothetical protein 0.0135 0.3737 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.004 0.0504 0.1309
Entamoeba histolytica PH domain containing protein kinase, putative 0.0135 0.3737 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0046 0.0701 0.1838
Loa Loa (eye worm) TK protein kinase 0.0059 0.1132 0.2996
Plasmodium falciparum DNA gyrase subunit B 0.0153 0.4353 0.3378
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.004 0.0504 0.1349
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0135 0.3737 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.0038 0.0431 0.1111
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0135 0.3737 1
Brugia malayi Variant SH3 domain containing protein 0.004 0.0504 0.1309
Loa Loa (eye worm) AGC/PKA protein kinase 0.0135 0.3737 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 0.1815 0.4834
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0069 0.1472 0.3911
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0069 0.1472 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0318 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0079 0.1815 0.4834
Trypanosoma brucei DNA topoisomerase ii 0.0121 0.3274 0.8245
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0069 0.1472 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.008 0.1868 0.4976
Loa Loa (eye worm) hypothetical protein 0.0033 0.0249 0.0623
Chlamydia trachomatis DNA gyrase subunit B 0.0153 0.4353 0.4208
Leishmania major protein kinase A catalytic subunit isoform 2 0.0135 0.3737 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0135 0.3737 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0249 0.0623
Loa Loa (eye worm) TOPoisomerase family member 0.0069 0.1472 0.3911
Plasmodium falciparum DNA gyrase subunit A 0.0318 1 1
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0318 1 1
Brugia malayi Probable DNA topoisomerase II 0.0069 0.1472 0.3911
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0135 0.3737 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0121 0.3274 0.8245
Leishmania major mitochondrial DNA topoisomerase II 0.0121 0.3274 0.8245
Schistosoma mansoni nck2/grb4 0.004 0.0504 0.1349
Mycobacterium ulcerans DNA gyrase subunit A 0.0318 1 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0079 0.1815 0.4834
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0135 0.3737 0.2656
Echinococcus granulosus c src tyrosine kinase 0.0046 0.0701 0.1838
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0069 0.1472 1
Echinococcus granulosus NCK adaptor protein 0.004 0.0504 0.1309
Echinococcus granulosus tyrosine protein kinase Blk 0.0059 0.1132 0.2996
Leishmania major protein kinase A catalytic subunit 0.0135 0.3737 1
Loa Loa (eye worm) TK protein kinase 0.0038 0.0431 0.1111
Loa Loa (eye worm) AGC/PKA protein kinase 0.0135 0.3737 1
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0318 1 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0069 0.1472 0.3911
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0069 0.1472 0.3911
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0135 0.3737 1
Brugia malayi Sex muscle abnormal protein 5 0.004 0.0504 0.1309
Schistosoma mansoni growth factor receptor-bound protein 0.004 0.0504 0.1349
Schistosoma mansoni serine/threonine protein kinase 0.0135 0.3737 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0059 0.1132 0.2996
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 0.1815 0.4834
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0088 0.2144 0.0788
Entamoeba histolytica protein kinase, putative 0.0038 0.0431 0.1111
Schistosoma mansoni tyrosine kinase 0.0026 0.0017 0.0047
Toxoplasma gondii AGC kinase 0.0135 0.3737 0.2656
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0133 0.3684 0.9858
Schistosoma mansoni tyrosine kinase 0.0046 0.0701 0.1876
Toxoplasma gondii AGC kinase 0.0135 0.3737 0.2656
Plasmodium vivax DNA gyrase subunit B, putative 0.0153 0.4353 0.3378
Echinococcus granulosus growth factor receptor bound protein 2 0.004 0.0504 0.1309
Brugia malayi protein-tyrosine kinase 0.0059 0.1132 0.2996
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 0.1815 0.4834
Echinococcus multilocularis tyrosine protein kinase Blk 0.0059 0.1132 0.2996
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0053 0.0935 0.2467
Echinococcus granulosus tyrosine kinase 0.0059 0.1132 0.2996
Chlamydia trachomatis DNA gyrase subunit B 0.01 0.2551 0.236
Loa Loa (eye worm) SRC-1 0.0079 0.1815 0.4834
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0135 0.3737 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0069 0.1472 0.3911
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0135 0.3737 1
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0152 0.4306 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 0.1815 0.4834
Echinococcus multilocularis c src tyrosine kinase 0.0046 0.0701 0.1838
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0079 0.1815 0.4834
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0046 0.0701 0.1876
Echinococcus granulosus tyrosine protein kinase HCK 0.0038 0.0431 0.1111
Schistosoma mansoni tyrosine kinase 0.0079 0.1815 0.4858
Schistosoma mansoni tyrosine kinase 0.0046 0.0701 0.1876
Schistosoma mansoni tyrosine kinase 0.0026 0.0017 0.0047
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0135 0.3737 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0059 0.1132 0.2996
Echinococcus multilocularis growth factor receptor bound protein 2 0.004 0.0504 0.1309
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0135 0.3737 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0079 0.1815 0.4834
Leishmania major protein kinase A catalytic subunit isoform 1 0.0135 0.3737 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0135 0.3737 1
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0135 0.3737 0.2656
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0046 0.0701 0.1838
Schistosoma mansoni DNA topoisomerase II 0.0069 0.1472 0.3939
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0059 0.1132 0.2996
Loa Loa (eye worm) hypothetical protein 0.004 0.0504 0.1309
Loa Loa (eye worm) variant SH3 domain-containing protein 0.004 0.0504 0.1309
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0069 0.1472 0.3911
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0318 1 1
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0135 0.3737 0.2656
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 0.1815 0.4834
Entamoeba histolytica PH domain containing protein kinase, putative 0.0135 0.3737 1
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0135 0.3737 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0079 0.1815 0.4834
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0121 0.3274 0.8245
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 0.1815 0.4834
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0135 0.3737 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0135 0.3737 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0053 0.0935 0.2467
Schistosoma mansoni serine/threonine protein kinase 0.0135 0.3737 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0079 0.1815 0.4834
Brugia malayi SRC-1 0.0079 0.1815 0.4834
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0135 0.3737 1
Plasmodium vivax DNA gyrase subunit A, putative 0.0318 1 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0079 0.1815 0.4834
Giardia lamblia Kinase, AGC PKA 0.0135 0.3737 1

Activities

No activities found for this compound.

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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