Detailed information for compound 1376537

Basic information

Technical information
  • TDR Targets ID: 1376537
  • Name: 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl methyl]-[1,3]thiazolo[2,3-b]pyrimidin-5-one
  • MW: 358.398 | Formula: C14H10N6O2S2
  • H donors: 1 H acceptors: 5 LogP: 1.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)n1nnnc1SCc1cc(=O)n2c(n1)scc2
  • InChi: 1S/C14H10N6O2S2/c21-11-3-1-10(2-4-11)20-14(16-17-18-20)24-8-9-7-12(22)19-5-6-23-13(19)15-9/h1-7,21H,8H2
  • InChiKey: JLGWAIBJIFJPRK-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]thiazolo[2,3-b]pyrimidin-5-one
  • 7-[[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]methyl]-5-thiazolo[2,3-b]pyrimidinone
  • 7-[[[1-(4-hydroxyphenyl)tetrazol-5-yl]thio]methyl]thiazolo[2,3-b]pyrimidin-5-one
  • 7-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[2,3-b]pyrimidin-5-one
  • T5335444
  • MLS000775496
  • ZINC03410973
  • SMR000370375

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens huntingtin 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) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913

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 hypothetical protein 0.0494 0.396 0.3952
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0013 0.0094
Toxoplasma gondii PAN domain-containing protein 0.0332 0.2637 0.3709
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0013 0.0094
Brugia malayi PAN domain containing protein 0.0036 0.0206 0.1462
Schistosoma mansoni cercarial elastase (S01 family) 0.0052 0.0335 0.0323
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0013 0.0086
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0013 0.0031
Onchocerca volvulus 0.0052 0.0335 0.231
Brugia malayi PAN domain containing protein 0.0036 0.0206 0.1462
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0418 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0013 0.0031
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0086
Loa Loa (eye worm) hypothetical protein 0.0036 0.0206 0.1455
Loa Loa (eye worm) hypothetical protein 0.0062 0.0418 0.296
Onchocerca volvulus Huntingtin homolog 0.0148 0.1125 0.7972
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0013 0.0031
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0086
Onchocerca volvulus 0.0036 0.0206 0.1381
Brugia malayi ecdysteroid receptor 0.0012 0.0013 0.0094
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0836 0.6761 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0052 0.0335 0.0323
Schistosoma mansoni cercarial elastase (S01 family) 0.0052 0.0335 0.0323
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.396 1
Echinococcus granulosus tissue type plasminogen activator 0.0062 0.0418 0.1052
Loa Loa (eye worm) hypothetical protein 0.0052 0.0335 0.2376
Brugia malayi PAN domain containing protein 0.0036 0.0206 0.1462
Schistosoma mansoni cercarial elastase (S01 family) 0.0052 0.0335 0.0323
Echinococcus granulosus cpg binding protein 0.0037 0.0214 0.0537
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0086
Leishmania major hypothetical protein, conserved 0.0062 0.0418 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0013 0.0086
Loa Loa (eye worm) hypothetical protein 0.0052 0.0335 0.2376
Onchocerca volvulus 0.0052 0.0335 0.231
Loa Loa (eye worm) hypothetical protein 0.0036 0.0206 0.1455
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0013 0.0031
Echinococcus granulosus enteropeptidase 0.0052 0.0335 0.0844
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0013 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0013 0.0094
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0013 0.0031
Schistosoma mansoni cpg binding protein 0.0037 0.0214 0.0201
Schistosoma mansoni hypothetical protein 0.0062 0.0418 0.0405
Onchocerca volvulus 0.0036 0.0206 0.1381
Loa Loa (eye worm) PAN domain-containing protein 0.0036 0.0206 0.1455
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0052 0.0335 0.0323
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0013 0.0031
Onchocerca volvulus 0.0052 0.0335 0.231
Loa Loa (eye worm) hypothetical protein 0.0036 0.0206 0.1455
Schistosoma mansoni cercarial elastase (S01 family) 0.0052 0.0335 0.0323
Loa Loa (eye worm) hypothetical protein 0.0036 0.0206 0.1455
Schistosoma mansoni cercarial elastase (S01 family) 0.0052 0.0335 0.0323
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0013 0.0094
Schistosoma mansoni hypothetical protein 0.0052 0.0335 0.0323
Echinococcus multilocularis Mastin 0.0052 0.0335 0.0844
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0052 0.0335 0.0323
Brugia malayi PAN domain containing protein 0.0036 0.0206 0.1462
Brugia malayi Protein kinase domain containing protein 0.0062 0.0418 0.2965
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0013 0.0094
Onchocerca volvulus 0.0062 0.0418 0.2899
Schistosoma mansoni cercarial elastase (S01 family) 0.0052 0.0335 0.0323
Brugia malayi CXXC zinc finger family protein 0.0035 0.0197 0.1401
Brugia malayi hypothetical protein 0.0052 0.0335 0.2382
Loa Loa (eye worm) hypothetical protein 0.0036 0.0206 0.1455
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0052 0.0335 0.0844
Onchocerca volvulus 0.0036 0.0206 0.1381
Onchocerca volvulus 0.0035 0.0197 0.132
Schistosoma mansoni cpg binding protein 0.0037 0.0214 0.0201
Onchocerca volvulus Huntingtin homolog 0.0148 0.1125 0.7972
Echinococcus granulosus transmembrane protease serine 3 0.0052 0.0335 0.0844
Loa Loa (eye worm) hypothetical protein 0.0052 0.0335 0.2376
Brugia malayi Trypsin family protein 0.0052 0.0335 0.2382
Brugia malayi PAN domain containing protein 0.0036 0.0206 0.1462
Echinococcus granulosus Mastin 0.0052 0.0335 0.0844
Schistosoma mansoni cercarial elastase (S01 family) 0.0052 0.0335 0.0323
Schistosoma mansoni cercarial elastase (S01 family) 0.0052 0.0335 0.0323
Brugia malayi PAN domain containing protein 0.0036 0.0206 0.1462
Loa Loa (eye worm) hypothetical protein 0.0052 0.0335 0.2376
Brugia malayi nuclear hormone receptor 0.0012 0.0013 0.0094
Schistosoma mansoni cpg binding protein 0.0035 0.0197 0.0184
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0013 0.0086
Loa Loa (eye worm) TK/ROR protein kinase 0.0062 0.0418 0.296
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0052 0.0335 0.0844
Onchocerca volvulus 0.0036 0.0206 0.1381
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0013 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0013 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0013 0.0094
Brugia malayi PAN domain containing protein 0.0036 0.0206 0.1462
Loa Loa (eye worm) hypothetical protein 0.0182 0.1408 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0013 0.0094
Brugia malayi PAN domain containing protein 0.0036 0.0206 0.1462
Echinococcus granulosus dnaJ subfamily B 0.0494 0.396 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0013 0.0086
Onchocerca volvulus 0.0052 0.0335 0.231
Brugia malayi steroid hormone receptor 0.0012 0.0013 0.0094
Loa Loa (eye worm) PAN domain-containing protein 0.0036 0.0206 0.1455
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0013 0.0031
Onchocerca volvulus 0.0182 0.1408 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0013 0.0094
Loa Loa (eye worm) PAN domain-containing protein 0.0036 0.0206 0.1455
Onchocerca volvulus 0.0052 0.0335 0.231
Plasmodium falciparum cysteine repeat modular protein 1 0.0062 0.0418 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0013 0.0031
Echinococcus granulosus glycoprotein Antigen 5 0.0052 0.0335 0.0844
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0013 0.0094
Echinococcus multilocularis enteropeptidase 0.0052 0.0335 0.0844
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0086
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0224 0.1747 0.1736
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0013 0.0031
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0013 0.0031
Echinococcus multilocularis tissue type plasminogen activator 0.0062 0.0418 0.1052
Brugia malayi PAN domain containing protein 0.0036 0.0206 0.1462
Loa Loa (eye worm) hypothetical protein 0.0052 0.0335 0.2376
Loa Loa (eye worm) hypothetical protein 0.0036 0.0206 0.1455
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0052 0.0335 0.0323
Toxoplasma gondii PAN domain-containing protein 0.0332 0.2637 0.3709
Loa Loa (eye worm) hypothetical protein 0.0052 0.0335 0.2376
Onchocerca volvulus 0.0036 0.0206 0.1381
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0013 0.0031
Onchocerca volvulus 0.0036 0.0206 0.1381
Schistosoma mansoni hypothetical protein 0.0052 0.0335 0.0323
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0052 0.0335 0.0323
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0013 0.0031
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0452 0.0375
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0052 0.0335 0.0844
Brugia malayi Trypsin-like protease protein 5 0.0052 0.0335 0.2382
Brugia malayi Trypsin family protein 0.0052 0.0335 0.2382
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0086
Echinococcus multilocularis transmembrane protease serine 3 0.0052 0.0335 0.0844
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0013 0.0031
Onchocerca volvulus 0.0036 0.0206 0.1381
Brugia malayi Trypsin family protein 0.0052 0.0335 0.2382
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0013 0.0031
Loa Loa (eye worm) hypothetical protein 0.0148 0.1125 0.7989
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0086
Onchocerca volvulus 0.0036 0.0206 0.1381
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0013 0.0031
Brugia malayi Trypsin family protein 0.0052 0.0335 0.2382
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0086
Onchocerca volvulus 0.0036 0.0206 0.1381
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0052 0.0335 0.0323
Mycobacterium ulcerans hypothetical protein 0.0052 0.0335 0.5
Brugia malayi nuclear receptor NHR-88 0.0012 0.0013 0.0094
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0013 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0013 0.0094
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0013 0.0086
Onchocerca volvulus 0.0036 0.0206 0.1381
Loa Loa (eye worm) PAN domain-containing protein 0.0036 0.0206 0.1455
Loa Loa (eye worm) hypothetical protein 0.0148 0.1125 0.7989
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0013 0.0086
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0062 0.0418 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0052 0.0335 0.0323
Onchocerca volvulus 0.0052 0.0335 0.231
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0052 0.0335 0.0323
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0013 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0013 0.0094
Brugia malayi hypothetical protein 0.0182 0.1408 1
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0052 0.0335 0.0844
Loa Loa (eye worm) PAN domain-containing protein 0.0036 0.0206 0.1455
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0013 0.0094
Loa Loa (eye worm) trypsin family protein 0.0052 0.0335 0.2376
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0052 0.0335 0.0323
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0052 0.0335 0.2382
Loa Loa (eye worm) hypothetical protein 0.0036 0.0206 0.1455
Schistosoma mansoni cercarial elastase (S01 family) 0.0052 0.0335 0.0323
Onchocerca volvulus 0.0036 0.0206 0.1381
Brugia malayi Kringle domain containing protein 0.0062 0.0418 0.2965
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0197 0.1395
Echinococcus multilocularis cpg binding protein 0.0037 0.0214 0.0537
Brugia malayi hypothetical protein 0.0148 0.1125 0.7991
Brugia malayi PAN domain containing protein 0.0036 0.0206 0.1462
Loa Loa (eye worm) hypothetical protein 0.0052 0.0335 0.2376
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0013 0.0086
Schistosoma mansoni cercarial elastase (S01 family) 0.0052 0.0335 0.0323
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0013 0.0031
Echinococcus multilocularis glycoprotein Antigen 5 0.0052 0.0335 0.0844
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0516 0.0503
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0013 0.0094
Toxoplasma gondii kringle domain-containing protein 0.0062 0.0418 0.0323
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0013 0.0094

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 56.2341 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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