Detailed information for compound 1348580

Basic information

Technical information
  • TDR Targets ID: 1348580
  • Name: 2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiaz ol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acet amide
  • MW: 397.491 | Formula: C21H23N3O3S
  • H donors: 1 H acceptors: 3 LogP: 4.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1C(C)C)CSc1nnc(o1)COc1ccc(cc1)C
  • InChi: 1S/C21H23N3O3S/c1-14(2)17-6-4-5-7-18(17)22-19(25)13-28-21-24-23-20(27-21)12-26-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,22,25)
  • InChiKey: SXBKMBINTQDFTQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-isopropylphenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
  • N-(2-isopropylphenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
  • 2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide
  • EU-0046743
  • NCGC00141102-01
  • STK053771

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0058 0.0088
Loa Loa (eye worm) doublecortin family protein 0.0019 0.035 0.0534
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.468 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0033 0.1731 0.1683
Schistosoma mansoni hypothetical protein 0.0081 0.6548 0.6528
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.4343 0.9153
Echinococcus granulosus intermediate filament protein 0.0033 0.1702 0.1702
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0081 0.6548 1
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0081 0.6548 0.6548
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.4343 0.9153
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.4343 0.9153
Leishmania major DNA polymerase kappa, putative 0.0039 0.2379 0.5021
Onchocerca volvulus 0.0033 0.1702 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0033 0.1731 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.1731 0.3619
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.4343 0.9153
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.3339 0.7098
Schistosoma mansoni DNA polymerase eta 0.0033 0.1731 0.1683
Echinococcus granulosus lamin 0.0033 0.1702 0.1702
Loa Loa (eye worm) hypothetical protein 0.0033 0.1702 0.2599
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.4049 0.4049
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.4343 0.9153
Brugia malayi ImpB/MucB/SamB family protein 0.0033 0.1731 0.2578
Loa Loa (eye worm) fibroinase 0.0016 0.0058 0.0088
Schistosoma mansoni rab6-interacting 0.0019 0.035 0.0294
Echinococcus granulosus dna polymerase kappa 0.0059 0.4343 0.4343
Trypanosoma brucei DNA polymerase IV, putative 0.0059 0.4343 0.9153
Onchocerca volvulus 0.0033 0.1702 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0033 0.1731 0.2643
Trypanosoma brucei DNA polymerase IV, putative 0.0052 0.3695 0.7524
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1702 0.2533
Brugia malayi hypothetical protein 0.0019 0.035 0.045
Leishmania major DNA polymerase eta, putative 0.0033 0.1731 0.3619
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0033 0.1731 0.1731
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0058 0.0058
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0058 0.0058
Leishmania major cathepsin L-like protease 0.0062 0.468 1
Brugia malayi intermediate filament protein 0.0033 0.1702 0.2533
Echinococcus multilocularis musashi 0.0033 0.1702 0.1702
Loa Loa (eye worm) ctsf protein 0.0016 0.0058 0.0088
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.4343 0.9153
Giardia lamblia DINP protein human, muc B family 0.0039 0.2379 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0016 0.0058 0.0088
Schistosoma mansoni lipoxygenase 0.008 0.6513 0.6493
Echinococcus multilocularis lamin 0.0033 0.1702 0.1702
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.4049 0.8634
Schistosoma mansoni lipoxygenase 0.0115 1 1
Echinococcus granulosus lamin dm0 0.0033 0.1702 0.1702
Echinococcus multilocularis dna polymerase kappa 0.0059 0.4343 0.4343
Echinococcus multilocularis cysteine protease 0.0016 0.0058 0.0058
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.4137 0.8824
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.468 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.6548 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.2379 0.5021
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.4343 0.9153
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.4049 0.6149
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.2055 0.3403
Schistosoma mansoni hypothetical protein 0.0081 0.6548 0.6528
Loa Loa (eye worm) hypothetical protein 0.0032 0.1642 0.2507
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.468 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.035 0.035
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0033 0.1731 0.2643
Schistosoma mansoni apoptosis regulator bax 0.0081 0.6548 0.6528
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0175 0.0267
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.4343 0.9271
Brugia malayi hypothetical protein 0.0019 0.035 0.045
Mycobacterium ulcerans DNA polymerase IV 0.0059 0.4343 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.468 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.468 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0017 0.0091 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0058 0.0058
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0175 0.018
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.4049 0.4014
Loa Loa (eye worm) hypothetical protein 0.0036 0.2055 0.3138
Trypanosoma brucei unspecified product 0.0052 0.3695 0.7524
Loa Loa (eye worm) hypothetical protein 0.0019 0.035 0.0534
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.035 0.035
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0058 0.0058
Onchocerca volvulus 0.0019 0.035 0.1777
Trypanosoma brucei DNA polymerase IV, putative 0.0059 0.4343 0.9153
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.2055 0.3403
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1702 0.2599
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.468 1
Schistosoma mansoni lamin 0.0033 0.1702 0.1653
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.035 0.035
Brugia malayi Doublecortin family protein 0.0019 0.035 0.045
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0059 0.4343 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.468 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.035 0.035
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.035 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.4343 0.9271
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.1349 0.1629
Echinococcus multilocularis RUN 0.0019 0.035 0.035
Echinococcus multilocularis cysteine protease 0.0016 0.0058 0.0058
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.468 1
Schistosoma mansoni rab6-interacting 0.0019 0.035 0.0294
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.4343 0.9153
Echinococcus granulosus RUN 0.0019 0.035 0.035
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.1349 0.1629
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.468 1
Echinococcus granulosus cathepsin l1 0.0016 0.0058 0.0058
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.468 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0033 0.1731 0.1683
Trypanosoma brucei DNA polymerase eta, putative 0.0033 0.1731 0.2588
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.035 0.035
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.0058 0.0088
Schistosoma mansoni hypothetical protein 0.0081 0.6548 0.6528
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.4343 0.9153
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.4343 0.9271
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1702 0.2599
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0081 0.6548 0.6528
Brugia malayi polk-prov protein 0.0036 0.2055 0.3077
Loa Loa (eye worm) cysteine protease 0.0016 0.0058 0.0088
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.468 1
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.468 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.468 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0081 0.6548 0.6548
Echinococcus granulosus dna polymerase eta 0.0033 0.1731 0.1731
Schistosoma mansoni intermediate filament proteins 0.0033 0.1702 0.1653
Echinococcus multilocularis lamin dm0 0.0033 0.1702 0.1702
Schistosoma mansoni lamin 0.0033 0.1702 0.1653
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.4049 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.2379 0.2796
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0081 0.6548 0.6548
Schistosoma mansoni loxhd1 0.0019 0.035 0.0294
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.2379 0.4217
Mycobacterium ulcerans DNA polymerase IV 0.0059 0.4343 1
Leishmania major cathepsin L-like protease 0.0062 0.468 1
Brugia malayi ImpB/MucB/SamB family protein 0.0033 0.1731 0.2578
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.3669 0.5603
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0033 0.1731 0.1731
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.4049 0.4049
Loa Loa (eye worm) hypothetical protein 0.0019 0.035 0.0534
Schistosoma mansoni polycystin 1-related 0.0019 0.035 0.0294
Onchocerca volvulus 0.0019 0.035 0.1777
Schistosoma mansoni hypothetical protein 0.0019 0.035 0.0294
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0058 0.0058
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.468 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.1349 0.1629
Loa Loa (eye worm) apoptosis regulator protein 0.0081 0.6548 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0059 0.4343 1
Leishmania major cathepsin L-like protease 0.0062 0.468 1
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.035 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0081 0.6548 0.6548
Trypanosoma cruzi DNA polymerase kappa, putative 0.0059 0.4343 0.9271
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.468 1
Echinococcus multilocularis dna polymerase eta 0.0033 0.1731 0.1731

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0398 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) 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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