Detailed information for compound 1875173

Basic information

Technical information
  • TDR Targets ID: 1875173
  • Name: N-(2,3-dichlorophenyl)-2-[2-(2-(furan-2-ylmet hylidene)hydrazinyl)-4-oxo-1,3-thiazol-5-yl]a cetamide
  • MW: 411.262 | Formula: C16H12Cl2N4O3S
  • H donors: 2 H acceptors: 2 LogP: 3.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1Cl)Cl)CC1SC(=NC1=O)N/N=C/c1ccco1
  • InChi: 1S/C16H12Cl2N4O3S/c17-10-4-1-5-11(14(10)18)20-13(23)7-12-15(24)21-16(26-12)22-19-8-9-3-2-6-25-9/h1-6,8,12H,7H2,(H,20,23)(H,21,22,24)/b19-8+
  • InChiKey: DWAGVSGJBODARQ-UFWORHAWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,3-dichlorophenyl)-2-[2-((2E)-2-(furan-2-ylmethylidene)hydrazinyl)-4-oxo-1,3-thiazol-5-yl]acetamide
  • N-(2,3-dichlorophenyl)-2-[2-((N'E)-N'-(2-furylmethylene)hydrazino)-4-oxo-thiazol-5-yl]acetamide
  • N-(2,3-dichlorophenyl)-2-[2-(N'-(2-furylmethylene)hydrazino)-4-oxo-thiazol-5-yl]acetamide
  • N-(2,3-dichlorophenyl)-2-[2-((N'E)-N'-(2-furylmethylene)hydrazino)-4-oxo-5-thiazolyl]acetamide
  • N-(2,3-dichlorophenyl)-2-[2-(N'-(2-furylmethylene)hydrazino)-4-oxo-5-thiazolyl]acetamide
  • N-(2,3-dichlorophenyl)-2-[2-((N'E)-N'-(2-furylmethylene)hydrazino)-4-keto-thiazol-5-yl]acetamide
  • N-(2,3-dichlorophenyl)-2-[2-(N'-(2-furylmethylene)hydrazino)-4-keto-thiazol-5-yl]acetamide
  • N-(2,3-dichlorophenyl)-2-[2-((2E)-2-(furan-2-ylmethylidene)hydrazinyl)-4-oxo-1,3-thiazol-5-yl]ethanamide
  • N-(2,3-dichlorophenyl)-2-[2-(2-(furan-2-ylmethylidene)hydrazinyl)-4-oxo-1,3-thiazol-5-yl]ethanamide
  • BAS 02176096
  • CBMicro_001896
  • BIM-0001760.P001
  • MLS000710436
  • SMR000280203

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.005 0 0.5
Onchocerca volvulus Matrilysin homolog 0.0259 0.7835 1
Brugia malayi ADAM-TS Spacer 1 family protein 0.0212 0.6071 0.7459
Brugia malayi Matrixin family protein 0.0267 0.814 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0644 0.0791
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0209 0.5975 1
Mycobacterium leprae PROBABLE HYDROLASE 0.005 0 0.5
Loa Loa (eye worm) matrixin family protein 0.009 0.1527 0.1876
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0088 0.1453 0.1084
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.1899 0.155
Onchocerca volvulus Matrix metalloproteinase homolog 0.009 0.1527 0.1623
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.1899 0.155
Mycobacterium ulcerans hydrolase 0.005 0 0.5
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.1899 0.2333
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0088 0.1453 0.2024
Brugia malayi hypothetical protein 0.0061 0.0414 0.0508
Brugia malayi angiogenesis inhibito 0.0065 0.0573 0.0704
Onchocerca volvulus 0.01 0.1899 0.2117
Loa Loa (eye worm) hypothetical protein 0.01 0.1899 0.2333
Loa Loa (eye worm) hypothetical protein 0.0209 0.5975 0.734
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0061 0.0414 0.0191
Loa Loa (eye worm) hypothetical protein 0.0212 0.6071 0.7459
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0088 0.1453 0.1084
Brugia malayi ADAMTS-like protease 0.0065 0.0573 0.0704
Brugia malayi Hemopexin family protein 0.0058 0.0305 0.0375
Onchocerca volvulus Papilin homolog 0.0067 0.0644 0.045
Loa Loa (eye worm) hypothetical protein 0.0061 0.0414 0.0508
Loa Loa (eye worm) matrixin family protein 0.0267 0.814 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0317 1 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.1899 0.2811

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 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.

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