Detailed information for compound 1673154

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.492 | Formula: C22H22FN3O2S
  • H donors: 2 H acceptors: 3 LogP: 3.91 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNCCS(=O)(=O)c1cccc(c1)Nc1ccc(cn1)c1cccc(c1)F
  • InChi: 1S/C22H22FN3O2S/c1-2-11-24-12-13-29(27,28)21-8-4-7-20(15-21)26-22-10-9-18(16-25-22)17-5-3-6-19(23)14-17/h2-10,14-16,24H,1,11-13H2,(H,25,26)
  • InChiKey: QGZAJCRLVKMTHP-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
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0229 0.1494 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.1351 1 0.5
Echinococcus granulosus voltage gated potassium channel 0.0047 0.0114 0.0114
Echinococcus granulosus sodium and chloride dependent glycine 0.0229 0.1494 0.1494
Loa Loa (eye worm) hypothetical protein 0.1351 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0229 0.1494 0.1494
Loa Loa (eye worm) hypothetical protein 0.0229 0.1494 0.1494
Loa Loa (eye worm) hypothetical protein 0.0229 0.1494 0.1494
Schistosoma mansoni voltage-gated potassium channel 0.0179 0.1109 0.1109
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0229 0.1494 0.5
Brugia malayi hypothetical protein 0.0229 0.1494 0.1494
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0229 0.1494 0.1494
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0163 0.0995 0.0995
Loa Loa (eye worm) serotonin transporter b 0.1351 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0229 0.1494 0.1494
Echinococcus multilocularis sodium and chloride dependent glycine 0.0229 0.1494 0.1494
Schistosoma mansoni sodium/chloride dependent transporter 0.1351 1 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0229 0.1494 0.1494
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0229 0.1494 0.1494
Echinococcus multilocularis sodium and chloride dependent glycine 0.0229 0.1494 0.1494
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0114 0.0114
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0047 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0142 0.0831 0.0831
Loa Loa (eye worm) hypothetical protein 0.0047 0.0114 0.0114
Plasmodium falciparum amino acid transporter, putative 0.0229 0.1494 0.5
Loa Loa (eye worm) hypothetical protein 0.1351 1 1
Loa Loa (eye worm) hypothetical protein 0.0229 0.1494 0.1494
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0229 0.1494 0.1494
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0229 0.1494 0.1494
Schistosoma mansoni sodium/chloride dependent transporter 0.0229 0.1494 0.1494
Plasmodium falciparum transporter, putative 0.0229 0.1494 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0163 0.0995 0.0995
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0153 0.0913 1
Onchocerca volvulus 0.1351 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0114 0.0114
Schistosoma mansoni voltage-gated potassium channel 0.0179 0.1109 0.1109
Echinococcus granulosus serotonin transporter 0.1351 1 1
Loa Loa (eye worm) norepinephrine transporter 0.1351 1 1
Plasmodium vivax amine transporter, putative 0.0229 0.1494 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0163 0.0995 0.0995
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0229 0.1494 0.1494
Echinococcus granulosus sodium and chloride dependent glycine 0.0229 0.1494 0.1494
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0229 0.1494 0.1494
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0229 0.1494 0.1494
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0229 0.1494 0.1494
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0229 0.1494 0.1494
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0229 0.1494 0.1494
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0229 0.1494 0.1494
Plasmodium vivax hypothetical protein, conserved 0.0229 0.1494 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0047 0.0114 0.0114
Echinococcus multilocularis voltage gated potassium channel 0.0047 0.0114 0.0114
Toxoplasma gondii hypothetical protein 0.0229 0.1494 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.1351 1 1
Toxoplasma gondii hypothetical protein 0.0229 0.1494 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0163 0.0995 0.0995
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0229 0.1494 0.1494
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0229 0.1494 0.1494
Loa Loa (eye worm) hypothetical protein 0.1351 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0229 0.1494 0.1494
Loa Loa (eye worm) hypothetical protein 0.0229 0.1494 0.1494
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0229 0.1494 0.5
Loa Loa (eye worm) hypothetical protein 0.0229 0.1494 0.1494
Loa Loa (eye worm) hypothetical protein 0.0229 0.1494 0.1494
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0229 0.1494 0.1494
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0229 0.1494 0.1494
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0229 0.1494 0.1494
Echinococcus multilocularis serotonin transporter 0.1351 1 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0229 0.1494 0.1494
Loa Loa (eye worm) hypothetical protein 0.0229 0.1494 0.1494
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0229 0.1494 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0229 0.1494 0.1494
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0153 0.0913 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0229 0.1494 0.1494
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0047 0.0114 0.0114
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1351 1 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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