Detailed information for compound 1296886

Basic information

Technical information
  • TDR Targets ID: 1296886
  • Name: 4-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1,2-o xazole-5-carboxamide
  • MW: 244.675 | Formula: C10H13ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 1.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1onc(c1Cl)C)NCC1CCCO1
  • InChi: 1S/C10H13ClN2O3/c1-6-8(11)9(16-13-6)10(14)12-5-7-3-2-4-15-7/h7H,2-5H2,1H3,(H,12,14)
  • InChiKey: MODJSTYTRUWRAJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-3-methyl-N-(tetrahydrofuran-2-ylmethyl)isoxazole-5-carboxamide
  • 4-chloro-3-methyl-N-(2-tetrahydrofuranylmethyl)-5-isoxazolecarboxamide
  • 4-chloro-3-methyl-N-(tetrahydrofurfuryl)isoxazole-5-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 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
Brugia malayi N-terminal motif family protein 0.0198 0.4883 0.751
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0257 0.6449 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0257 0.6449 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0571 0.5
Onchocerca volvulus 0.0035 0.0571 0.0804
Mycobacterium ulcerans lipase LipD 0.0035 0.0571 0.5
Echinococcus granulosus GPCR family 2 0.0081 0.1793 0.1793
Brugia malayi latrophilin 2 splice variant baaae 0.0175 0.4294 0.6573
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0571 0.0571
Onchocerca volvulus 0.0035 0.0571 0.0804
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0571 0.5
Brugia malayi beta-lactamase 0.0035 0.0571 0.0655
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0081 0.1793 0.1793
Schistosoma mansoni hypothetical protein 0.0081 0.1793 0.1793
Brugia malayi beta-lactamase family protein 0.0035 0.0571 0.0655
Mycobacterium leprae Probable lipase LipE 0.0035 0.0571 0.5
Brugia malayi Serine protease Z688.6 precursor 0.0021 0.0194 0.0056
Brugia malayi Serine carboxypeptidase S28 family protein 0.0021 0.0194 0.0056
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0571 0.5
Brugia malayi MH2 domain containing protein 0.0124 0.2926 0.4399
Loa Loa (eye worm) hypothetical protein 0.0035 0.0571 0.0602
Schistosoma mansoni hypothetical protein 0.0081 0.1793 0.1793
Loa Loa (eye worm) hypothetical protein 0.0035 0.0571 0.0602
Schistosoma mansoni hypothetical protein 0.0081 0.1793 0.1793
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0257 0.6449 1
Leishmania major hypothetical protein, conserved 0.0035 0.0571 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0446 0.6669
Brugia malayi Latrophilin receptor protein 2 0.0081 0.1793 0.2597
Trichomonas vaginalis esterase, putative 0.0035 0.0571 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1793 0.2555
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0571 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0571 0.5
Loa Loa (eye worm) hypothetical protein 0.0198 0.4883 0.7496
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0081 0.1793 0.1793
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0081 0.1793 0.1793
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0571 1
Brugia malayi Serine protease Z688.6 precursor 0.0021 0.0194 0.0056
Schistosoma mansoni lysosomal Pro-Xaa carboxypeptidase (S28 family) 0.0021 0.0194 0.0194
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0571 1
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0021 0.0194 0.0194
Echinococcus multilocularis GPCR, family 2 0.0081 0.1793 0.1793
Loa Loa (eye worm) hypothetical protein 0.0257 0.6449 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0198 0.4883 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0446 0.5
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0021 0.0194 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0571 0.0602
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0021 0.0194 0.0194
Loa Loa (eye worm) latrophilin receptor protein 2 0.0081 0.1793 0.2555
Loa Loa (eye worm) hypothetical protein 0.003 0.0446 0.0402
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0571 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0571 0.0602
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0446 0.6669
Loa Loa (eye worm) hypothetical protein 0.0175 0.4294 0.6554
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0571 1
Brugia malayi beta-lactamase family protein 0.0035 0.0571 0.0655
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0571 0.0571
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0446 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0571 0.0602
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0571 1
Schistosoma mansoni hypothetical protein 0.0175 0.4294 0.4294
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0571 0.0602
Schistosoma mansoni hypothetical protein 0.0081 0.1793 0.1793
Brugia malayi hypothetical protein 0.003 0.0446 0.0455
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0446 0.6669
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.5603 1
Onchocerca volvulus 0.0035 0.0571 0.0804
Mycobacterium ulcerans beta-lactamase 0.0035 0.0571 0.5
Giardia lamblia Serine peptidase, putative 0.0021 0.0194 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0081 0.1793 0.2597
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0571 0.0655
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0021 0.0194 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0081 0.1793 0.1793
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.2926 0.4368
Toxoplasma gondii ABC1 family protein 0.0035 0.0571 1
Giardia lamblia Thymus-specific serine protease precursor 0.0021 0.0194 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0571 0.0571
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0571 0.0571
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0571 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0571 1
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0021 0.0194 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0571 0.0602
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0571 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0571 0.0602
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.2926 0.4368

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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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