Detailed information for compound 1395265

Basic information

Technical information
  • TDR Targets ID: 1395265
  • Name: 2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadia zol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2- yl)acetamide
  • MW: 337.377 | Formula: C12H11N5O3S2
  • H donors: 1 H acceptors: 5 LogP: 1.81 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1scc(n1)C)CSc1nnc(o1)c1noc(c1)C
  • InChi: 1S/C12H11N5O3S2/c1-6-4-21-11(13-6)14-9(18)5-22-12-16-15-10(19-12)8-3-7(2)20-17-8/h3-4H,5H2,1-2H3,(H,13,14,18)
  • InChiKey: BWNNVRAIDOENJV-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylthiazol-2-yl)acetamide
  • 2-[[5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-methyl-2-thiazolyl)acetamide
  • 2-[[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-methylthiazol-2-yl)acetamide
  • 2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide
  • SMR000221728
  • ZINC02360663
  • STK230128
  • 2-[5-(5-Methyl-isoxazol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methyl-thiazol-2-yl)-acetamide
  • MLS000332431

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.3093 0.3093
Echinococcus multilocularis dna polymerase eta 0.0023 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.3093 0.3093
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 1 1
Echinococcus granulosus dna polymerase kappa 0.0023 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 1 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.3093 0.3093
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.3093 0.3093
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.3093 0.3093
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.3093 0.3093
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.3093 0.3093
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.3093 0.3093
Brugia malayi ImpB/MucB/SamB family protein 0.0023 1 1
Schistosoma mansoni coup transcription factor 0.0012 0.3093 0.3093
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.0012 0.3093 0.3093
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.3093 0.3093
Brugia malayi ecdysteroid receptor 0.0012 0.3093 0.3093
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.3093 0.3093
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.3093 0.3093
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.3093 0.3093
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.3093 0.3093
Leishmania major DNA polymerase eta, putative 0.0023 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.3093 0.3093
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.3093 0.3093
Leishmania major DNA polymerase kappa, putative 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.3093 0.3093
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.0012 0.3093 0.3093
Onchocerca volvulus 0.0012 0.3093 0.5
Brugia malayi nuclear hormone receptor 0.0012 0.3093 0.3093
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.3093 0.3093
Schistosoma mansoni thyroid hormone receptor 0.0012 0.3093 0.3093
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.3093 0.3093
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.3093 0.3093
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.3093 0.3093
Echinococcus granulosus dna polymerase eta 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 1 1
Trypanosoma brucei unspecified product 0.0023 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.3093 0.3093
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 1 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.3093 0.3093
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.55 0.55
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.3093 0.3093
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.3093 0.3093
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.3093 0.3093
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.3093 0.3093
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.3093 0.3093
Mycobacterium ulcerans DNA polymerase IV 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.3093 0.3093
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 1 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.3093 0.3093
Giardia lamblia DINP protein human, muc B family 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.3093 0.3093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.3093 0.3093
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.55 0.55
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.0012 0.3093 0.3093
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.3093 0.3093
Brugia malayi steroid hormone receptor 0.0012 0.3093 0.3093
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 0.3093 0.3093
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 1 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.3093 0.3093
Echinococcus multilocularis dna polymerase kappa 0.0023 1 1
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0 0.5
Trypanosoma brucei unspecified product 0.0016 0.55 0.55
Trypanosoma brucei unspecified product 0.0016 0.55 0.55
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.3093 0.5
Schistosoma mansoni DNA polymerase eta 0.0023 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.3093 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.3093 0.3093
Schistosoma mansoni thyroid hormone receptor 0.0012 0.3093 0.3093
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.3093 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.55 0.55
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.3093 0.3093

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2936 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) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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