Detailed information for compound 1528962

Basic information

Technical information
  • TDR Targets ID: 1528962
  • Name: N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfany l]acetyl]-4-fluorobenzohydrazide
  • MW: 327.358 | Formula: C11H10FN5O2S2
  • H donors: 3 H acceptors: 4 LogP: 1.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nnc(s1)N)NNC(=O)c1ccc(cc1)F
  • InChi: 1S/C11H10FN5O2S2/c12-7-3-1-6(2-4-7)9(19)15-14-8(18)5-20-11-17-16-10(13)21-11/h1-4H,5H2,(H2,13,16)(H,14,18)(H,15,19)
  • InChiKey: UWJOGQXOXPUZFO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-fluoro-benzohydrazide
  • N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]-4-fluorobenzohydrazide
  • N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]-4-fluoro-benzohydrazide
  • N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyl]-4-fluoro-benzohydrazide
  • ZINC02646113
  • T5271735

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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 ATP-binding cassette transporter 0.0112 0.2884 0.7686
Echinococcus multilocularis glutamate receptor 2 0.0133 0.3753 0.8641
Echinococcus granulosus glutamate receptor 2 0.0133 0.3753 0.8641
Schistosoma mansoni glutamate receptor NMDA 0.0133 0.3753 1
Echinococcus multilocularis glutamate receptor 2 0.0092 0.2059 0.474
Brugia malayi Pre-SET motif family protein 0.0251 0.858 1
Trichomonas vaginalis set domain proteins, putative 0.0286 1 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0133 0.3753 0.8641
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0106 0.2649 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0112 0.2884 0.7686
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0133 0.3753 0.8641
Schistosoma mansoni glutamate receptor kainate 0.0112 0.2884 0.7686
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0106 0.2649 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0106 0.2649 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0148 0.4343 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0106 0.2649 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0148 0.4343 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.858 1
Schistosoma mansoni glutamate receptor kainate 0.0112 0.2884 0.7686
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0133 0.3753 0.8641
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0133 0.3753 0.8641
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0133 0.3753 0.8641
Echinococcus multilocularis glutamate receptor 2 0.0112 0.2884 0.6641
Schistosoma mansoni glutamate receptor AMPA 0.0112 0.2884 0.7686
Schistosoma mansoni glutamate receptor kainate 0.0112 0.2884 0.7686
Echinococcus granulosus nmda type glutamate receptor 0.0148 0.4343 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0133 0.3753 0.8641
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0133 0.3753 0.8641
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0133 0.3753 0.8641
Echinococcus granulosus glutamate NMDA receptor subunit 0.0112 0.2884 0.6641
Schistosoma mansoni glutamate receptor AMPA 0.0112 0.2884 0.7686
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0112 0.2884 0.6641
Echinococcus granulosus glutamate receptor 2 0.0092 0.2059 0.474
Chlamydia trachomatis glutamine binding protein 0.0106 0.2649 0.5
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0106 0.2649 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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.

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