Detailed information for compound 920177

Basic information

Technical information
  • TDR Targets ID: 920177
  • Name: 5-methyl-2-[4-(phenoxy)phenyl]-[1,2]thiazolo[ 5,4-b]pyridin-3-one
  • MW: 334.392 | Formula: C19H14N2O2S
  • H donors: 0 H acceptors: 2 LogP: 4.17 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cnc2c(c1)c(=O)n(s2)c1ccc(cc1)Oc1ccccc1
  • InChi: 1S/C19H14N2O2S/c1-13-11-17-18(20-12-13)24-21(19(17)22)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-12H,1H3
  • InChiKey: RGPSDCPHLKBKFX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-methyl-2-[4-(phenoxy)phenyl]isothiazolo[5,4-b]pyridin-3-one
  • 5-methyl-2-[4-(phenoxy)phenyl]-3-isothiazolo[5,4-b]pyridinone
  • 5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
  • AIDS-152015
  • AIDS152015
  • NSC694619
  • NCI60_033867

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
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
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0186 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0186 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0186 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0186 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.8154 0.8154
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0186 1 1
Schistosoma mansoni thyroid hormone receptor 0.0186 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 1 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.8712 0.8712
Brugia malayi nuclear hormone receptor 0.0186 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0186 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0186 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0186 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0186 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0186 1 1
Onchocerca volvulus 0.0186 1 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0186 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0186 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0186 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0186 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0186 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0186 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0186 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0186 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0186 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0186 1 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0186 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0186 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.0186 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0186 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0186 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0186 1 1
Brugia malayi nuclear receptor NHR-88 0.0186 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0186 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0186 1 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.8712 0.8712
Schistosoma mansoni nuclear hormone receptor 0.0186 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0186 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0186 1 1
Schistosoma mansoni coup transcription factor 0.0186 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0186 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0186 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0186 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0186 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 1 1
Echinococcus granulosus FTZ F1 alpha 0.0186 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0186 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0186 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0186 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0186 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0186 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0186 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0186 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0186 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0186 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0186 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0186 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0186 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0186 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0186 1 1
Loa Loa (eye worm) acetyltransferase 0.0175 0.8712 0.8712
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0186 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0186 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0186 1 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.8712 0.8712
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0186 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0186 1 1
Brugia malayi steroid hormone receptor 0.0186 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0186 1 0.5

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 29 % Growth inhibition of human HCT116 cells at 25 uM by CellTiter-96 Aqueous Non-radioactive cell proliferation assay ChEMBL. 21353783
GI (functional) = 32 % Growth inhibition of human SK-N-SH cells at 25 uM by CellTiter-96 Aqueous Non-radioactive cell proliferation assay ChEMBL. 21353783
GI50 (functional) -5.77 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.361 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.018 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.864 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.854 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.851 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.779 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.748 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.709 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.596 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histone H4 (2-24) substrate by In-vitro time-resolved fluorescence immunosorbent acetyltransferase assay ChEMBL. 21353783
IC50 (binding) = 12.9 uM Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histone H3 (1-21) substrate by In-vitro time-resolved fluorescence immunosorbent acetyltransferase assay ChEMBL. 21353783

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

1 literature reference was collected for this gene.

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