Detailed information for compound 412355

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 580.624 | Formula: C34H30F2N4O3
  • H donors: 2 H acceptors: 4 LogP: 4.11 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C1CCN(CC1)Cc1ccccc1c1ccc(c(c1)F)NC(=O)c1cc(nn1c1cc2ccccc2cc1F)C
  • InChi: 1S/C34H30F2N4O3/c1-21-16-32(40(38-21)31-19-24-7-3-2-6-23(24)17-29(31)36)33(41)37-30-11-10-25(18-28(30)35)27-9-5-4-8-26(27)20-39-14-12-22(13-15-39)34(42)43/h2-11,16-19,22H,12-15,20H2,1H3,(H,37,41)(H,42,43)
  • InChiKey: SRWZVQFYHLGQAA-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858

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
Loa Loa (eye worm) hypothetical protein 0.0038 0.0422 0.0422
Schistosoma mansoni Fxna peptidase (M28 family) 0.0038 0.0422 0.0669
Brugia malayi leucyl aminopeptidase 0.0038 0.0422 0.774
Onchocerca volvulus Fxna peptidase homolog 0.0038 0.0422 1
Trypanosoma cruzi glutaminyl cyclase, putative 0.0038 0.0422 0.5
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0038 0.0422 0.0433
Loa Loa (eye worm) hypothetical protein 0.0039 0.0441 0.0441
Onchocerca volvulus 0.0038 0.0422 1
Loa Loa (eye worm) leucyl aminopeptidase 0.0038 0.0422 0.0422
Trypanosoma brucei glutaminyl cyclase, putative 0.0038 0.0422 1
Onchocerca volvulus Glutaminyl cyclase homolog 0.0038 0.0422 1
Brugia malayi nicalin 0.0038 0.0422 0.774
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0051 0.0666 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0422 0.0422
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0038 0.0422 0.774
Loa Loa (eye worm) hypothetical protein 0.0383 0.6553 0.6553
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0038 0.0422 0.0433
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0494 1
Onchocerca volvulus Fxna peptidase homolog 0.0038 0.0422 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0546 0.0559
Loa Loa (eye worm) hypothetical protein 0.0038 0.0422 0.0422
Brugia malayi Peptidase family M28 containing protein 0.0038 0.0422 0.774
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0546 1
Leishmania major hypothetical protein, conserved 0.0038 0.0422 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0546 0.0546
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0038 0.0422 0.774
Onchocerca volvulus Fxna peptidase homolog 0.0038 0.0422 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.037 0.6309 1
Toxoplasma gondii hypothetical protein 0.0038 0.0422 1
Toxoplasma gondii peptidase, M28 family protein 0.0038 0.0422 1
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0051 0.0666 1
Brugia malayi FXNA 0.0038 0.0422 0.774
Loa Loa (eye worm) hypothetical protein 0.0527 0.909 0.909
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0618 0.098
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0038 0.0422 0.0669
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0038 0.0422 0.0433
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0564 0.9756 1
Trypanosoma cruzi glutaminyl cyclase, putative 0.0038 0.0422 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0546 1
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0038 0.0422 0.774
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0038 0.0422 0.0669
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0494 1
Schistosoma mansoni nicalin (M28 family) 0.0038 0.0422 0.0669
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0618 0.098
Leishmania major glutaminyl cyclase, putative 0.0038 0.0422 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 10 uM Displacement of [3H]dofetilide from human ERG potassium channel expressed in HEK293 cells ChEMBL. 16931010
Ki (binding) > 10 uM Displacement of [3H]dofetilide from human ERG potassium channel expressed in HEK293 cells ChEMBL. 16931010

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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