Detailed information for compound 1719671

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 469.507 | Formula: C28H24FN3O3
  • H donors: 2 H acceptors: 3 LogP: 4.99 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N[C@H](C(=O)Nc1cccc(n1)c1ccc(cc1)Oc1ccc(cc1)F)Cc1ccccc1
  • InChi: 1S/C28H24FN3O3/c1-19(33)30-26(18-20-6-3-2-4-7-20)28(34)32-27-9-5-8-25(31-27)21-10-14-23(15-11-21)35-24-16-12-22(29)13-17-24/h2-17,26H,18H2,1H3,(H,30,33)(H,31,32,34)/t26-/m0/s1
  • InChiKey: FLBUCJBVHOFOAQ-SANMLTNESA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sodium channel, voltage-gated, type IX, alpha subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania donovani calcium channel protein, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania mexicana calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania major calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania braziliensis calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus multilocularis sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819

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 nuclear receptor 2DBD gamma 0.008 0.6684 0.6684
Loa Loa (eye worm) hypothetical protein 0.008 0.6684 0.8058
Schistosoma mansoni nuclear hormone receptor 0.008 0.6684 0.6684
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.008 0.6684 0.6684
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.008 0.6684 0.6684
Echinococcus granulosus calcium activated potassium channel variant 0.0089 0.8295 0.8295
Brugia malayi steroid hormone receptor 0.008 0.6684 1
Echinococcus multilocularis ecdysone induced protein 78C 0.008 0.6684 0.6684
Echinococcus granulosus retinoic acid receptor rxr beta a 0.008 0.6684 0.6684
Brugia malayi Nuclear hormone receptor-like 1 0.008 0.6684 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.008 0.6684 1
Brugia malayi Steroid receptor seven-up type 2 0.008 0.6684 1
Brugia malayi ecdysteroid receptor 0.008 0.6684 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.3784 0.4562
Brugia malayi Nuclear hormone receptor family member nhr-40 0.008 0.6684 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.008 0.6684 0.6684
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.008 0.6684 0.6684
Echinococcus multilocularis potassium large conductance calcium activated 0.0099 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.008 0.6684 0.8058
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.008 0.6684 0.6684
Echinococcus multilocularis FTZ F1 alpha 0.008 0.6684 0.6684
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.008 0.6684 0.6684
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0052 0.1698 0.1698
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.008 0.6684 0.8058
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.008 0.6684 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.008 0.6684 0.6684
Echinococcus granulosus sodium channel protein 0.0052 0.1698 0.1698
Schistosoma mansoni steroid hormone receptor ad4bp 0.008 0.6684 0.6684
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.008 0.6684 0.5
Loa Loa (eye worm) MaxiK calcium-activated potassium channel 0.0064 0.3784 0.4562
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.008 0.6684 0.8058
Brugia malayi nuclear hormone receptor 0.008 0.6684 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.008 0.6684 1
Loa Loa (eye worm) hypothetical protein 0.008 0.6684 0.8058
Brugia malayi Nuclear hormone receptor family member nhr-3 0.008 0.6684 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.008 0.6684 0.6684
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.008 0.6684 0.6684
Echinococcus multilocularis sodium channel protein 0.0052 0.1698 0.1698
Brugia malayi Nuclear hormone receptor family member nhr-19 0.008 0.6684 1
Onchocerca volvulus Bile acid receptor homolog 0.008 0.6684 0.5
Loa Loa (eye worm) steroid hormone receptor 0.008 0.6684 0.8058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.008 0.6684 0.8058
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.008 0.6684 0.6684
Brugia malayi Nuclear hormone receptor family member nhr-25 0.008 0.6684 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.008 0.6684 0.6684
Loa Loa (eye worm) hypothetical protein 0.008 0.6684 0.8058
Schistosoma mansoni RAR-like nuclear receptor 0.008 0.6684 0.6684
Onchocerca volvulus Protein ultraspiracle homolog 0.008 0.6684 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.008 0.6684 0.6684
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.008 0.6684 0.8058
Echinococcus multilocularis thyroid hormone receptor alpha 0.008 0.6684 0.6684
Schistosoma mansoni retinoid-x-receptor (RXR) 0.008 0.6684 0.6684
Brugia malayi Nuclear hormone receptor family member nhr-25 0.008 0.6684 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.008 0.6684 0.8058
Loa Loa (eye worm) hypothetical protein 0.008 0.6684 0.8058
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0052 0.1698 0.5
Echinococcus granulosus FTZ F1 alpha 0.008 0.6684 0.6684
Brugia malayi Nuclear hormone receptor family member nhr-41 0.008 0.6684 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.008 0.6684 0.8058
Schistosoma mansoni calcium-activated potassium channel 0.0089 0.8295 0.8295
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.008 0.6684 0.6684
Echinococcus multilocularis calcium activated potassium channel variant 0.0089 0.8295 0.8295
Loa Loa (eye worm) hypothetical protein 0.008 0.6684 0.8058
Schistosoma mansoni Tr4/Tr2 (homologue) 0.008 0.6684 0.6684
Echinococcus granulosus nuclear receptor 2DBD gamma 0.008 0.6684 0.6684
Onchocerca volvulus 0.008 0.6684 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.008 0.6684 1
Schistosoma mansoni thyroid hormone receptor 0.008 0.6684 0.6684
Brugia malayi Nuclear hormone receptor family member nhr-49 0.008 0.6684 1
Brugia malayi nuclear receptor NHR-88 0.008 0.6684 1
Loa Loa (eye worm) hypothetical protein 0.008 0.6684 0.8058
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.008 0.6684 0.6684
Schistosoma mansoni coup transcription factor 0.008 0.6684 0.6684
Schistosoma mansoni thyroid hormone receptor 0.008 0.6684 0.6684
Schistosoma mansoni calcium-activated potassium channel 0.0099 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.008 0.6684 1
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0064 0.3784 0.5662
Echinococcus multilocularis calcium activated potassium channel 0.0099 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.6684 0.8058
Brugia malayi Nuclear hormone receptor family member nhr-31 0.008 0.6684 1
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0089 0.8295 1
Echinococcus granulosus potassium large conductance calcium activated 0.0099 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.008 0.6684 0.6684
Brugia malayi Nuclear hormone receptor family member nhr-14 0.008 0.6684 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.008 0.6684 0.6684
Loa Loa (eye worm) hypothetical protein 0.008 0.6684 0.8058

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.064 uM Blockade of Nav1.7 by FLIPR TETRA sodium dye assay in presence of KCl salt ChEMBL. 24900533
Ki (binding) = 0.13 uM Blockade of Nav1.7 by electrophysiological patch clamp assay ChEMBL. 24900533

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.

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