Detailed information for compound 1025713

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 487.58 | Formula: C26H28F3N3OS
  • H donors: 1 H acceptors: 1 LogP: 5.77 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1scc(c1)c1ccc(cc1)N(C)C)NCC1CCN(C1)Cc1cccc(c1)C(F)(F)F
  • InChi: 1S/C26H28F3N3OS/c1-31(2)23-8-6-20(7-9-23)21-13-24(34-17-21)25(33)30-14-19-10-11-32(16-19)15-18-4-3-5-22(12-18)26(27,28)29/h3-9,12-13,17,19H,10-11,14-16H2,1-2H3,(H,30,33)
  • InChiKey: MKLDTECGNKEAQR-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 granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.2363 0.2363
Echinococcus granulosus PHD finger protein rhinoceros 0.0052 0.1924 0.1924
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1123 0.1123
Brugia malayi PHD-finger family protein 0.0052 0.1924 0.2065
Echinococcus granulosus enhancer of polycomb 0.0032 0.0911 0.0911
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.1123 1
Entamoeba histolytica hypothetical protein 0.0036 0.1123 1
Echinococcus multilocularis peregrin 0.0215 1 1
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0324 0.0347
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.2363 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.1073 0.1855
Trypanosoma cruzi transcription elongation factor-like protein, putative 0.0014 0 0.5
Echinococcus multilocularis enhancer of polycomb 0.0032 0.0911 0.0911
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.4682 0.5
Giardia lamblia PHD finger protein 15 0.0052 0.1924 0.5
Brugia malayi AF-10 protein 0.0017 0.0171 0.0184
Schistosoma mansoni hypothetical protein 0.0036 0.1123 0.1265
Brugia malayi PHD-finger family protein 0.002 0.0324 0.0347
Schistosoma mansoni hypothetical protein 0.0017 0.0171 0.0193
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0017 0.0171 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.2363 0.2662
Toxoplasma gondii PHD-finger domain-containing protein 0.0017 0.0171 0.0724
Brugia malayi Bromodomain containing protein 0.013 0.5783 0.6205
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0017 0.0171 1
Brugia malayi hypothetical protein 0.0036 0.1123 0.1205
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.2363 1
Onchocerca volvulus Alhambra homolog 0.0052 0.1924 0.3327
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2363 0.5
Trypanosoma cruzi transcription elongation factor s-II, putative 0.0014 0 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0052 0.1924 0.8144
Loa Loa (eye worm) hypothetical protein 0.002 0.0324 0.056
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0035 0.1073 0.1073
Plasmodium vivax hypothetical protein, conserved 0.0052 0.1924 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0035 0.1073 0.1073
Loa Loa (eye worm) PHD-finger family protein 0.0052 0.1924 0.3327
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1123 0.1123
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0192 0.8877 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0052 0.1924 0.8144
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0171 0.0193
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0 0.5
Schistosoma mansoni SET domain protein 0.0017 0.0152 0.0172
Entamoeba histolytica hypothetical protein 0.0036 0.1123 1
Onchocerca volvulus 0.013 0.5783 1
Entamoeba histolytica hypothetical protein 0.0036 0.1123 1
Brugia malayi jmjC domain containing protein 0.0035 0.1073 0.1151
Schistosoma mansoni hypothetical protein 0.0052 0.1924 0.2168
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2363 0.5
Echinococcus granulosus E3 ubiquitin protein ligase TRIM33 0.0121 0.5347 0.5347
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2363 0.5
Schistosoma mansoni enhancer of polycomb 0.0032 0.0911 0.1026
Loa Loa (eye worm) hypothetical protein 0.013 0.5783 1
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0017 0.0171 0.0724
Brugia malayi Bromodomain containing protein 0.0201 0.932 1
Schistosoma mansoni transcription intermediary factor 1-related 0.0121 0.5347 0.6024
Schistosoma mansoni phd finger protein 0.0023 0.0443 0.0499
Echinococcus multilocularis enhancer of polycomb 0.0032 0.0911 0.0911
Schistosoma mansoni enhancer of polycomb 0.0032 0.0911 0.1026
Trypanosoma cruzi MIZ/SP-RING zinc finger, putative 0.0014 0 0.5
Plasmodium falciparum phd finger protein, putative 0.0052 0.1924 1
Echinococcus granulosus enhancer of polycomb 0.0032 0.0911 0.0911
Echinococcus multilocularis E3 ubiquitin protein ligase TRIM33 0.0121 0.5347 0.5347
Loa Loa (eye worm) hypothetical protein 0.0052 0.1924 0.3327
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.2363 0.2662
Schistosoma mansoni enhancer of polycomb 0.0032 0.0911 0.1026
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.2363 0.2363
Loa Loa (eye worm) hypothetical protein 0.0108 0.4682 0.8095
Echinococcus multilocularis PHD finger protein rhinoceros 0.0052 0.1924 0.1924
Schistosoma mansoni enhancer of polycomb 0.0032 0.0911 0.1026
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1123 0.1265
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.2363 0.5

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.

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