Detailed information for compound 1752193

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.449 | Formula: C25H21F2N3O3
  • H donors: 0 H acceptors: 3 LogP: 5.53 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc2n(c1N(C(=O)c1ccccc1F)C)cccc2OCC(=O)c1ccc(cc1)F
  • InChi: 1S/C25H21F2N3O3/c1-3-20-24(29(2)25(32)18-7-4-5-8-19(18)27)30-14-6-9-22(23(30)28-20)33-15-21(31)16-10-12-17(26)13-11-16/h4-14H,3,15H2,1-2H3
  • InChiKey: MONCKNORZBKKGF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 multilocularis sentrin specific protease 8 0.0069 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.6754 0.6754
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.6754 0.6754
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.6754 0.6754
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.6754 0.6754
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0069 1 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0069 1 1
Trichomonas vaginalis Sentrin-specific protease, putative 0.0069 1 1
Trypanosoma cruzi hypothetical protein 0.0069 1 1
Echinococcus granulosus sentrin specific protease 8 0.0069 1 1
Brugia malayi MAP kinase sur-1 0.0053 0.6754 0.6754
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.6754 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0069 1 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.6754 1
Trypanosoma brucei protein kinase, putative 0.0053 0.6754 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.6754 0.6754
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0 0.5
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0069 1 1
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.6754 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.6754 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.6754 0.6754
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.6754 0.6754
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0069 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.6754 0.6754
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.6754 0.6754
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.6754 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.6754 0.6754
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.6754 0.6754
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Loa Loa (eye worm) Ulp1 protease 0.0069 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.6754 0.6754
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.6754 0.6754
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.6754 0.6754

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.