Detailed information for compound 1587167

Basic information

Technical information
  • TDR Targets ID: 1587167
  • Name: N'-(2-chloro-6-fluorobenzoyl)-4-methyl-2-(pyr idin-2-ylsulfonylmethyl)-1,3-thiazole-5-carbo hydrazide
  • MW: 468.91 | Formula: C18H14ClFN4O4S2
  • H donors: 2 H acceptors: 6 LogP: 2.89 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1sc(nc1C)CS(=O)(=O)c1ccccn1)NNC(=O)c1c(F)cccc1Cl
  • InChi: 1S/C18H14ClFN4O4S2/c1-10-16(18(26)24-23-17(25)15-11(19)5-4-6-12(15)20)29-13(22-10)9-30(27,28)14-7-2-3-8-21-14/h2-8H,9H2,1H3,(H,23,25)(H,24,26)
  • InChiKey: FJJMBYMIXXQQDY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-(2-chloro-6-fluoro-benzoyl)-4-methyl-2-(2-pyridylsulfonylmethyl)thiazole-5-carbohydrazide
  • N'-[(2-chloro-6-fluorophenyl)-oxomethyl]-4-methyl-2-(2-pyridylsulfonylmethyl)-5-thiazolecarbohydrazide
  • N'-(2-chloro-6-fluoro-phenyl)carbonyl-4-methyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide
  • SMR000461342
  • MLS000859565
  • N'5-(2-chloro-6-fluorobenzoyl)-4-methyl-2-[(2-pyridylsulfonyl)methyl]-1,3-thiazole-5-carbohydrazide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-1 0.004 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.087 0.087
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.004 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.004 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.004 1 1
Brugia malayi Steroid receptor seven-up type 2 0.004 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.004 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.004 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.004 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.004 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0021 0.087 0.087
Brugia malayi nuclear hormone receptor 0.004 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.004 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.004 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.004 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.004 1 1
Brugia malayi hypothetical protein 0.0021 0.087 0.087
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0021 0.087 0.087
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.087 0.087
Loa Loa (eye worm) steroid hormone receptor 0.004 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.004 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.004 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.004 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.004 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Brugia malayi hypothetical protein 0.0021 0.087 0.087
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Toxoplasma gondii exonuclease III APE 0.0019 0 0.5
Brugia malayi steroid hormone receptor 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.087 0.087
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.004 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.004 1 1
Onchocerca volvulus 0.004 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 1 1
Schistosoma mansoni thyroid hormone receptor 0.004 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.004 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.087 0.087
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.004 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.004 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.004 1 0.5
Schistosoma mansoni nuclear hormone receptor 0.004 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 1 1
Onchocerca volvulus Bile acid receptor homolog 0.004 1 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.087 0.087
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.004 1 1
Brugia malayi nuclear receptor NHR-88 0.004 1 1
Brugia malayi nuclear receptor RXR 0.0021 0.087 0.087
Brugia malayi Nuclear hormone receptor family member nhr-40 0.004 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0021 0.087 0.087
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.004 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.004 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.087 0.087
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.004 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Schistosoma mansoni coup transcription factor 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Schistosoma mansoni thyroid hormone receptor 0.004 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 1 1
Echinococcus granulosus FTZ F1 alpha 0.004 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.004 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0021 0.087 0.087
Loa Loa (eye worm) hypothetical protein 0.0021 0.087 0.087
Loa Loa (eye worm) hypothetical protein 0.0021 0.087 0.087
Brugia malayi Nuclear hormone receptor family member nhr-14 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.004 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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