Detailed information for compound 1331607

Basic information

Technical information
  • TDR Targets ID: 1331607
  • Name: 3-(4-methoxyphenyl)-5-(3-nitro-4-pyrrolidin-1 -ylphenyl)-1,2,4-oxadiazole
  • MW: 366.371 | Formula: C19H18N4O4
  • H donors: 0 H acceptors: 4 LogP: 3.87 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1noc(n1)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
  • InChi: 1S/C19H18N4O4/c1-26-15-7-4-13(5-8-15)18-20-19(27-21-18)14-6-9-16(17(12-14)23(24)25)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3
  • InChiKey: YKYVOPBRPBYFPE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-methoxyphenyl)-5-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2,4-oxadiazole
  • 3-(4-methoxyphenyl)-5-(3-nitro-4-1-pyrrolidinylphenyl)-1,2,4-oxadiazole
  • D349-2606
  • NCGC00119260-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0853 1
Echinococcus granulosus tar DNA binding protein 0.0124 0.5135 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0853 0.1661
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0853 0.5
Leishmania major hypothetical protein, conserved 0.0035 0.0853 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0853 1
Brugia malayi beta-lactamase family protein 0.0035 0.0853 0.1661
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0853 0.1661
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.5135 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0742 0.1446
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0853 0.1661
Trichomonas vaginalis esterase, putative 0.0035 0.0853 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.4171 0.8123
Loa Loa (eye worm) hypothetical protein 0.0035 0.0853 0.1661
Brugia malayi beta-lactamase family protein 0.0035 0.0853 0.1661
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0853 0.0853
Mycobacterium ulcerans hypothetical protein 0.0035 0.0853 0.5
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0742 0.1446
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0853 0.1661
Schistosoma mansoni hypothetical protein 0.0033 0.0742 0.1446
Echinococcus granulosus GPCR family 2 0.0033 0.0742 0.1446
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0853 0.1661
Schistosoma mansoni hypothetical protein 0.0033 0.0742 0.1446
Loa Loa (eye worm) hypothetical protein 0.0033 0.0742 0.1446
Mycobacterium tuberculosis Conserved protein 0.0035 0.0853 0.0853
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.2584 0.5032
Loa Loa (eye worm) RNA binding protein 0.0124 0.5135 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0853 0.0853
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0742 0.1446
Schistosoma mansoni hypothetical protein 0.0033 0.0742 0.1446
Echinococcus multilocularis GPCR, family 2 0.0033 0.0742 0.1446
Schistosoma mansoni tar DNA-binding protein 0.0124 0.5135 1
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.5135 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0853 0.1661
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0853 0.1661
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0742 0.1446
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.4171 0.8123
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0853 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0853 0.1661
Loa Loa (eye worm) TAR-binding protein 0.0124 0.5135 1
Schistosoma mansoni hypothetical protein 0.0033 0.0742 0.1446
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0853 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0853 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0853 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0853 0.0853
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0853 1
Schistosoma mansoni tar DNA-binding protein 0.0124 0.5135 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0853 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.4171 0.8123
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0853 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0853 0.0853
Mycobacterium ulcerans beta-lactamase 0.0035 0.0853 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0853 0.0853
Loa Loa (eye worm) hypothetical protein 0.0071 0.2584 0.5032
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0742 0.1446
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0742 0.1446
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0853 1
Onchocerca volvulus 0.0035 0.0853 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0853 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0853 0.1661
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0853 0.5
Onchocerca volvulus 0.0035 0.0853 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0742 0.1446
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0853 0.5
Schistosoma mansoni tar DNA-binding protein 0.0124 0.5135 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0853 0.0853
Schistosoma mansoni tar DNA-binding protein 0.0124 0.5135 1
Brugia malayi beta-lactamase 0.0035 0.0853 0.1661
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0853 0.0853
Mycobacterium tuberculosis Conserved protein 0.0035 0.0853 0.0853
Brugia malayi RNA binding protein 0.0124 0.5135 1
Echinococcus multilocularis tar DNA binding protein 0.0124 0.5135 1
Brugia malayi TAR-binding protein 0.0124 0.5135 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0853 0.0853
Loa Loa (eye worm) hypothetical protein 0.0035 0.0853 0.1661
Loa Loa (eye worm) hypothetical protein 0.0035 0.0853 0.1661
Schistosoma mansoni hypothetical protein 0.0071 0.2584 0.5032
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.4171 0.8123
Schistosoma mansoni tar DNA-binding protein 0.0124 0.5135 1
Onchocerca volvulus 0.0035 0.0853 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0853 0.1661
Mycobacterium leprae Probable lipase LipE 0.0035 0.0853 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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