Detailed information for compound 1464744

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 475.53 | Formula: C28H27F2N3O2
  • H donors: 0 H acceptors: 2 LogP: 4.81 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(c1ccc(cc1)F)CC(=O)N1CCN(CC1)Cc1nc2c(o1)cc(cc2)C
  • InChi: 1S/C28H27F2N3O2/c1-19-2-11-25-26(16-19)35-27(31-25)18-32-12-14-33(15-13-32)28(34)17-24(20-3-7-22(29)8-4-20)21-5-9-23(30)10-6-21/h2-11,16,24H,12-15,17-18H2,1H3
  • InChiKey: PPNUMJLAIDPRLZ-UHFFFAOYSA-N  

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 multilocularis potassium voltage gated channel subfamily H 0.005 0.1595 0.1826
Loa Loa (eye worm) hypothetical protein 0.0217 1 1
Echinococcus granulosus TNFR CD27 30 40 95 cysteine rich region 0.0192 0.8737 1
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0126 0.5398 0.6179
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0126 0.5398 0.6179
Schistosoma mansoni voltage-gated potassium channel 0.0054 0.1801 0.2062
Schistosoma mansoni hypothetical protein 0.0126 0.5398 0.6179
Schistosoma mansoni tumor necrosis factor receptor related 0.0192 0.8737 1
Schistosoma mansoni ankyrin 23/unc44 0.0126 0.5398 0.6179
Loa Loa (eye worm) hypothetical protein 0.0126 0.5398 0.5398
Brugia malayi Protein kinase domain containing protein 0.0126 0.5398 0.5398
Echinococcus multilocularis netrin receptor unc 5 0.0126 0.5398 0.6179
Echinococcus granulosus death domain containing protein 0.0126 0.5398 0.6179
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0126 0.5398 0.6179
Brugia malayi Uncoordinated protein 44 0.0126 0.5398 0.5398
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.005 0.1595 0.1595
Echinococcus granulosus Ankyrin 0.0126 0.5398 0.6179
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.9557 1
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0192 0.8737 1
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0192 0.8737 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1298 0.1298
Loa Loa (eye worm) hypothetical protein 0.0126 0.5398 0.5398
Onchocerca volvulus Netrin receptor homolog 0.0126 0.5398 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.005 0.1595 0.1826
Echinococcus granulosus netrin receptor unc 5 0.0126 0.5398 0.6179
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.0192 0.8737 1
Echinococcus multilocularis Ankyrin 0.0126 0.5398 0.6179
Schistosoma mansoni netrin receptor unc5 0.0126 0.5398 0.6179
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0126 0.5398 0.5398
Schistosoma mansoni voltage-gated potassium channel 0.0054 0.1801 0.2062
Brugia malayi Death domain containing protein 0.0126 0.5398 0.5398
Brugia malayi Immunoglobulin I-set domain containing protein 0.0126 0.5398 0.5398
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.005 0.1595 0.1595

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 30.95 % Inhibition of T-type alpha1G calcium channel expressed in HEK293 cells assessed as Kcl-induced depolarization at 10 uM ChEMBL. 21126876

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

1 literature reference was collected for this gene.

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