Detailed information for compound 893665

Basic information

Technical information
  • TDR Targets ID: 893665
  • Name: N-[1-[5-[2-[(2-fluorophenyl)amino]-2-oxoethyl ]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]b enzamide
  • MW: 413.469 | Formula: C20H20FN5O2S
  • H donors: 2 H acceptors: 4 LogP: 2.48 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1F)CSc1nnc(n1C)C(NC(=O)c1ccccc1)C
  • InChi: 1S/C20H20FN5O2S/c1-13(22-19(28)14-8-4-3-5-9-14)18-24-25-20(26(18)2)29-12-17(27)23-16-11-7-6-10-15(16)21/h3-11,13H,12H2,1-2H3,(H,22,28)(H,23,27)
  • InChiKey: MHRNXBIMRVQEGD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-[5-[2-[(2-fluorophenyl)amino]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
  • N-[1-[5-[[2-[(2-fluorophenyl)amino]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
  • N-[1-[5-[[2-[(2-fluorophenyl)amino]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
  • STK118024

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
Schistosoma mansoni glutamate receptor NMDA 0.0311 0.0473 0.0454
Loa Loa (eye worm) hypothetical protein 0.0375 0.0676 0.0657
Treponema pallidum sodium- and chloride- dependent transporter 0.329 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0558 0.1264 0.1246
Trypanosoma brucei C-8 sterol isomerase, putative 0.0733 0.1823 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0558 0.1264 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0558 0.1264 0.1264
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0558 0.1264 0.1246
Echinococcus granulosus sodium and chloride dependent glycine 0.0558 0.1264 0.1264
Echinococcus multilocularis nmda type glutamate receptor 0.0214 0.016 0.016
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0251 0.0279 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.329 1 1
Plasmodium falciparum transporter, putative 0.0558 0.1264 0.5
Loa Loa (eye worm) hypothetical protein 0.329 1 1
Loa Loa (eye worm) hypothetical protein 0.0558 0.1264 0.1246
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0558 0.1264 0.1264
Echinococcus multilocularis serotonin receptor 0.017 0.002 0.002
Echinococcus granulosus biogenic amine 5HT receptor 0.017 0.002 0.002
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0558 0.1264 1
Loa Loa (eye worm) hypothetical protein 0.0558 0.1264 0.1246
Loa Loa (eye worm) hypothetical protein 0.0558 0.1264 0.1246
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0558 0.1264 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.329 1 1
Echinococcus granulosus nmda type glutamate receptor 0.0512 0.1114 0.1114
Echinococcus multilocularis sodium and chloride dependent glycine 0.0558 0.1264 0.1264
Plasmodium vivax hypothetical protein, conserved 0.0558 0.1264 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0558 0.1264 0.1246
Loa Loa (eye worm) hypothetical protein 0.0558 0.1264 0.1246
Onchocerca volvulus 0.329 1 1
Leishmania major C-8 sterol isomerase-like protein 0.0733 0.1823 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1647 0.4745 0.4745
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0733 0.1823 0.5
Echinococcus multilocularis serotonin receptor 0.017 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.329 1 1
Plasmodium falciparum amino acid transporter, putative 0.0558 0.1264 0.5
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0251 0.0279 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0558 0.1264 0.1264
Plasmodium vivax amine transporter, putative 0.0558 0.1264 0.5
Loa Loa (eye worm) hypothetical protein 0.329 1 1
Echinococcus granulosus nmda type glutamate receptor 0.0214 0.016 0.016
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0558 0.1264 0.1264
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0558 0.1264 0.1264
Loa Loa (eye worm) solute carrier family 6 member 4 0.329 1 1
Loa Loa (eye worm) hypothetical protein 0.0558 0.1264 0.1246
Schistosoma mansoni sodium/chloride dependent transporter 0.0558 0.1264 0.1246
Schistosoma mansoni sodium/chloride dependent transporter 0.0558 0.1264 0.1246
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0348 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.0558 0.1264 0.1246
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0558 0.1264 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0558 0.1264 0.1264
Toxoplasma gondii hypothetical protein 0.0558 0.1264 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0558 0.1264 0.1246
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0558 0.1264 0.1264
Echinococcus granulosus tm gpcr rhodopsin 0.1647 0.4745 0.4745
Loa Loa (eye worm) serotonin transporter b 0.329 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0558 0.1264 0.1246
Loa Loa (eye worm) hypothetical protein 0.0558 0.1264 0.1246
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0558 0.1264 0.1246
Loa Loa (eye worm) norepinephrine transporter 0.329 1 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0558 0.1264 0.1264
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0558 0.1264 0.1246
Toxoplasma gondii hypothetical protein 0.0558 0.1264 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0558 0.1264 0.1246
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0558 0.1264 0.1246
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0558 0.1264 0.1264
Loa Loa (eye worm) hypothetical protein 0.0733 0.1823 0.1806
Schistosoma mansoni sodium-dependent amino acid transporter 0.0558 0.1264 0.1246
Echinococcus multilocularis serotonin transporter 0.329 1 1
Echinococcus granulosus serotonin transporter 0.329 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0558 0.1264 0.1246
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0733 0.1823 0.064
Echinococcus multilocularis nmda type glutamate receptor 0.0512 0.1114 0.1114

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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