Detailed information for compound 1421193

Basic information

Technical information
  • TDR Targets ID: 1421193
  • Name: N-cyclohexyl-2-[[5-(3-methylphenyl)-1,3,4-oxa diazol-2-yl]sulfanyl]acetamide
  • MW: 331.433 | Formula: C17H21N3O2S
  • H donors: 1 H acceptors: 3 LogP: 3.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCCCC1)CSc1nnc(o1)c1cccc(c1)C
  • InChi: 1S/C17H21N3O2S/c1-12-6-5-7-13(10-12)16-19-20-17(22-16)23-11-15(21)18-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,18,21)
  • InChiKey: PGQKSIRFLIKWDD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclohexyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
  • N-cyclohexyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide
  • NCGC00107058-01
  • ZINC00421850
  • BAS 03574617
  • N-Cyclohexyl-2-(5-m-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
  • C292-0042

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi serine/threonine-protein kinase plk-2 0.0815 0.961 0.9579
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0268 0.3081 0.253
Brugia malayi RNA binding protein 0.0748 0.8811 0.8716
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0815 0.961 0.9557
Schistosoma mansoni serine/threonine protein kinase 0.0815 0.961 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0815 0.961 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0815 0.961 1
Schistosoma mansoni tar DNA-binding protein 0.0748 0.8811 0.9168
Schistosoma mansoni tar DNA-binding protein 0.0748 0.8811 0.9168
Echinococcus granulosus GPCR family 2 0.0268 0.3081 0.3205
Brugia malayi RNA recognition motif domain containing protein 0.0748 0.8811 0.8716
Trichomonas vaginalis CAMK family protein kinase 0.0815 0.961 1
Schistosoma mansoni hypothetical protein 0.0268 0.3081 0.3205
Schistosoma mansoni hypothetical protein 0.0268 0.3081 0.3205
Schistosoma mansoni hypothetical protein 0.0268 0.3081 0.3205
Loa Loa (eye worm) hypothetical protein 0.0848 1 1
Brugia malayi hypothetical protein 0.0111 0.1208 0.0509
Entamoeba histolytica serine/threonine protein kinase, putative 0.0815 0.961 0.5
Giardia lamblia Kinase, PLK 0.0815 0.961 0.5
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0815 0.961 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0815 0.961 1
Trichomonas vaginalis CAMK family protein kinase 0.0404 0.4696 0.4886
Mycobacterium ulcerans bacterioferritin BfrB 0.001 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0848 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0815 0.961 1
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0111 0.1208 0.5
Loa Loa (eye worm) hypothetical protein 0.058 0.6797 0.6357
Brugia malayi N-terminal motif family protein 0.018 0.2023 0.1389
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0748 0.8811 0.9168
Schistosoma mansoni tar DNA-binding protein 0.0748 0.8811 0.9168
Loa Loa (eye worm) RNA binding protein 0.0748 0.8811 0.8648
Trichomonas vaginalis CAMK family protein kinase 0.0815 0.961 1
Loa Loa (eye worm) hypothetical protein 0.0268 0.3081 0.213
Schistosoma mansoni hypothetical protein 0.058 0.6797 0.7073
Trypanosoma brucei polo-like protein kinase 0.0815 0.961 1
Trichomonas vaginalis CAMK family protein kinase 0.0815 0.961 1
Loa Loa (eye worm) TAR-binding protein 0.0748 0.8811 0.8648
Loa Loa (eye worm) latrophilin receptor protein 2 0.0268 0.3081 0.213
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0268 0.3081 0.3205
Plasmodium falciparum ataxin-2 like protein, putative 0.0111 0.1208 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0111 0.1208 0.5
Schistosoma mansoni hypothetical protein 0.0268 0.3081 0.3205
Trichomonas vaginalis CAMK family protein kinase 0.0815 0.961 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0748 0.8811 0.8648
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.005 0.0474 0.0494
Treponema pallidum bacterioferrin (TpF1) 0.001 0 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0111 0.1208 0.5
Echinococcus granulosus tar DNA binding protein 0.0748 0.8811 0.9168
Schistosoma mansoni hypothetical protein 0.005 0.0474 0.0494
Echinococcus multilocularis GPCR, family 2 0.0268 0.3081 0.3205
Mycobacterium ulcerans bacterioferritin BfrA 0.001 0 0.5
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0268 0.3081 0.3205
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0268 0.3081 0.3205
Trichomonas vaginalis CAMK family protein kinase 0.0815 0.961 1
Trichomonas vaginalis CAMK family protein kinase 0.0815 0.961 1
Schistosoma mansoni tar DNA-binding protein 0.0748 0.8811 0.9168
Echinococcus multilocularis tar DNA binding protein 0.0748 0.8811 0.9168
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0268 0.3081 0.253
Trichomonas vaginalis CAMK family protein kinase 0.0404 0.4696 0.4886
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0815 0.961 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0268 0.3081 0.3205
Brugia malayi latrophilin 2 splice variant baaae 0.058 0.6797 0.6543
Loa Loa (eye worm) hypothetical protein 0.018 0.2023 0.0927
Brugia malayi Calcitonin receptor-like protein seb-1 0.0848 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0815 0.961 1
Schistosoma mansoni kinase 0.0414 0.4824 0.502
Brugia malayi TAR-binding protein 0.0748 0.8811 0.8716
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.005 0.0474 0.0494

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 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) 23.1093 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) 100 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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