Detailed information for compound 1216047

Basic information

Technical information
  • TDR Targets ID: 1216047
  • Name: 2-[3-(3-chlorophenyl)-5-methyl-4H-1,2-oxazol- 5-yl]-5-(phenylmethyl)-1,3,4-oxadiazole
  • MW: 353.802 | Formula: C19H16ClN3O2
  • H donors: 0 H acceptors: 2 LogP: 3.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C1=NOC(C1)(C)c1nnc(o1)Cc1ccccc1
  • InChi: 1S/C19H16ClN3O2/c1-19(12-16(23-25-19)14-8-5-9-15(20)11-14)18-22-21-17(24-18)10-13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3
  • InChiKey: VAZOYAQVXKACMT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(3-chlorophenyl)-5-methyl-4H-isoxazol-5-yl]-5-(phenylmethyl)-1,3,4-oxadiazole
  • 2-(benzyl)-5-[3-(3-chlorophenyl)-5-methyl-4H-isoxazol-5-yl]-1,3,4-oxadiazole
  • MLS000911914
  • SMR000463775

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor 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
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.003 0.3465 0.3465
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0955 0.0621
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0955 0.2754
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.1439 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.1439 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.1439 0.4151
Echinococcus multilocularis lamin 0.003 0.3465 1
Brugia malayi intermediate filament protein 0.003 0.3465 0.3224
Loa Loa (eye worm) hypothetical protein 0.0041 0.5813 0.5813
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.1439 0.5
Onchocerca volvulus 0.003 0.3465 0.5
Toxoplasma gondii exonuclease III APE 0.0021 0.1439 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.1439 0.4151
Echinococcus granulosus lamin 0.003 0.3465 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.1439 0.1123
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5813 0.5659
Echinococcus multilocularis GPCR, family 2 0.0019 0.0955 0.2754
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.1439 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.1439 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.1439 0.5
Echinococcus multilocularis musashi 0.003 0.3465 1
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Echinococcus granulosus lamin dm0 0.003 0.3465 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Echinococcus multilocularis lamin dm0 0.003 0.3465 1
Loa Loa (eye worm) hypothetical protein 0.003 0.3343 0.3343
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0955 0.0955
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.1439 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.0955 0.2754
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.3465 0.3224
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0955 0.2754
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.1439 0.5
Schistosoma mansoni lamin 0.003 0.3465 0.5168
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0955 0.2754
Schistosoma mansoni ap endonuclease 0.0021 0.1439 0.0996
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.1439 0.1439
Echinococcus granulosus intermediate filament protein 0.003 0.3465 1
Schistosoma mansoni intermediate filament proteins 0.003 0.3465 0.5168
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.1439 0.5
Schistosoma mansoni ap endonuclease 0.0021 0.1439 0.0996
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.1439 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.1439 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0955 0.0621
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.1439 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0356 0.0356
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.1439 0.5
Loa Loa (eye worm) intermediate filament protein 0.003 0.3465 0.3465
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.5813 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0955 0.0955
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.1439 0.5
Schistosoma mansoni lamin 0.003 0.3465 0.5168
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0955 0.2754
Onchocerca volvulus 0.003 0.3465 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.3465 0.3465

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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