Detailed information for compound 1273375

Basic information

Technical information
  • TDR Targets ID: 1273375
  • Name: N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioy l]-2-phenylacetamide
  • MW: 314.402 | Formula: C17H18N2O2S
  • H donors: 3 H acceptors: 2 LogP: 3.83 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(=S)Nc1cc(C)cc(c1O)C)Cc1ccccc1
  • InChi: 1S/C17H18N2O2S/c1-11-8-12(2)16(21)14(9-11)18-17(22)19-15(20)10-13-6-4-3-5-7-13/h3-9,21H,10H2,1-2H3,(H2,18,19,20,22)
  • InChiKey: FZRMCIRAEKFIGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-hydroxy-3,5-dimethyl-phenyl)carbamothioyl]-2-phenyl-acetamide
  • N-[[(2-hydroxy-3,5-dimethylphenyl)amino]-thioxomethyl]-2-phenylacetamide
  • N-[(2-hydroxy-3,5-dimethyl-phenyl)thiocarbamoyl]-2-phenyl-acetamide
  • N-[(2-hydroxy-3,5-dimethyl-phenyl)carbamothioyl]-2-phenyl-ethanamide
  • Oprea1_094219
  • MLS001163329
  • N-{[(2-hydroxy-3,5-dimethylphenyl)amino]carbonothioyl}-2-phenylacetamide
  • SMR000497251
  • ZINC00303655

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 tar DNA-binding protein 0.0076 0.0215 0.0736
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1002 0.343
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1002 0.343
Schistosoma mansoni hypothetical protein 0.049 0.292 1
Brugia malayi TAR-binding protein 0.0076 0.0215 0.1146
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0215 0.0736
Trichomonas vaginalis glutaminase, putative 0.033 0.1874 1
Loa Loa (eye worm) glutaminase 0.033 0.1874 0.6419
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0215 0.0736
Loa Loa (eye worm) hypothetical protein 0.049 0.292 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.0215 0.0736
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0215 0.1146
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0215 0.0736
Trypanosoma cruzi phytoene synthase, putative 0.049 0.292 0.292
Trypanosoma cruzi squalene synthase, putative 0.1572 1 1
Mycobacterium ulcerans phytoene synthase, CrtB 0.049 0.292 1
Echinococcus granulosus Squalene phytoene synthase 0.049 0.292 1
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.049 0.292 0.5
Schistosoma mansoni glutaminase 0.033 0.1874 0.6419
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0215 0.0736
Brugia malayi glutaminase DH11.1 0.033 0.1874 1
Echinococcus multilocularis Squalene phytoene synthase 0.049 0.292 1
Loa Loa (eye worm) glutaminase 2 0.033 0.1874 0.6419
Schistosoma mansoni alpha-glucosidase 0.0169 0.0822 0.2816
Leishmania major hypothetical protein, conserved 0.049 0.292 0.292
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0215 0.0736
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1002 0.5344
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.049 0.292 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.0215 0.0736
Brugia malayi RNA binding protein 0.0076 0.0215 0.1146
Schistosoma mansoni alpha-glucosidase 0.0169 0.0822 0.2816
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0 0.5
Trypanosoma cruzi squalene synthase, putative 0.1572 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0215 0.0736
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1002 0.343
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1002 0.343
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0 0.5
Trypanosoma brucei squalene synthase, putative 0.1572 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0215 0.0736

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3696 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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