Detailed information for compound 1198327

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 430.365 | Formula: C19H16F2N6O4
  • H donors: 1 H acceptors: 6 LogP: 2.42 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)c1ccc(c(c1)[N+](=O)[O-])n1cncn1)CC(=O)Nc1c(F)cccc1F
  • InChi: 1S/C19H16F2N6O4/c1-2-25(9-17(28)24-18-13(20)4-3-5-14(18)21)19(29)12-6-7-15(16(8-12)27(30)31)26-11-22-10-23-26/h3-8,10-11H,2,9H2,1H3,(H,24,28)
  • InChiKey: RDEAWPPVROZMOF-UHFFFAOYSA-N  


Substructure search Similarity search

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Brugia malayi TAR-binding protein 0.0064 1 1
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.1923 0.4849
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.2592 1
Entamoeba histolytica hypothetical protein 0.0025 0.2592 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.1293 0.1293
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0025 0.2592 0.1493
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Brugia malayi RNA recognition motif domain containing protein 0.0064 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Echinococcus multilocularis tar DNA binding protein 0.0064 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.2592 0.1493
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Loa Loa (eye worm) RNA binding protein 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.1923 0.1923
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.1293 0.4987
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.1293 0.1293
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.1293 0.4987
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Echinococcus granulosus tar DNA binding protein 0.0064 1 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.13 1
Echinococcus granulosus serine protein kinase ATM 0.0025 0.2592 0.1493
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.13 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Toxoplasma gondii target of rapamycin (TOR), putative 0.0018 0.1293 0.4987
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0025 0.2592 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Giardia lamblia GTOR 0.0018 0.1293 0.5
Toxoplasma gondii FATC domain-containing protein 0.0025 0.2592 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.1293 0.4987
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.2592 1
Loa Loa (eye worm) TAR-binding protein 0.0064 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Echinococcus multilocularis serine protein kinase ATM 0.0025 0.2592 0.1493
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1293 0.4987

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.