Detailed information for compound 1369986

Basic information

Technical information
  • TDR Targets ID: 1369986
  • Name: N-(2-methoxyphenyl)-3-[(5-pyridin-4-yl-1,3,4- oxadiazol-2-yl)sulfanyl]propanamide
  • MW: 356.399 | Formula: C17H16N4O3S
  • H donors: 1 H acceptors: 4 LogP: 1.96 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)CCSc1nnc(o1)c1ccncc1
  • InChi: 1S/C17H16N4O3S/c1-23-14-5-3-2-4-13(14)19-15(22)8-11-25-17-21-20-16(24-17)12-6-9-18-10-7-12/h2-7,9-10H,8,11H2,1H3,(H,19,22)
  • InChiKey: RLBALFNHRPXFHR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-methoxyphenyl)-3-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
  • N-(2-methoxyphenyl)-3-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]propanamide
  • N-(2-methoxyphenyl)-3-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]propionamide
  • AP-853/42160236
  • ZINC00645137
  • BAS 06981950
  • MLS000708288
  • SMR000287755
  • STK205459

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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 hypothetical protein 0.0314 0.0351 0.0351
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0314 0.0351 0.0311
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0314 0.0351 0.1854
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Onchocerca volvulus 0.5066 0.6019 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0314 0.0351 0.0311
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0314 0.0351 0.0311
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0314 0.0351 0.0311
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0314 0.0351 0.0311
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.0971 0.0934
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Brugia malayi Protein-tyrosine phosphatase 0.0314 0.0351 0.0351
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0012 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.5066 0.6019 1
Brugia malayi hypothetical protein 0.0314 0.0351 0.0351
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0314 0.0351 0.0311
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0314 0.0351 0.0311
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Brugia malayi Protein-tyrosine phosphatase 1 0.0314 0.0351 0.0351
Brugia malayi hypothetical protein 0.0314 0.0351 0.0351
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.0971 0.0934
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.5066 0.6019 1
Trypanosoma brucei protein tyrosine phosphatase 1 0.0314 0.0351 0.1854
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0314 0.0351 0.0311
Entamoeba histolytica protein tyrosine phosphatase, putative 0.5066 0.6019 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0314 0.0351 0.0339
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0012 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Brugia malayi Protein-tyrosine phosphatase 0.0314 0.0351 0.0351
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0314 0.0351 0.0311
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0012 0.5
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0314 0.0351 0.0311
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0041 0.0029
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Echinococcus granulosus protein tyrosine phosphatase n9 0.0314 0.0351 0.0311
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0314 0.0351 0.0351
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0314 0.0351 0.0311
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0314 0.0351 0.0311
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.0144 0.0132
Schistosoma mansoni protein tyrosine phosphatase 0.0314 0.0351 0.0311
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.5066 0.6019 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Brugia malayi MH2 domain containing protein 0.014 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.5066 0.6019 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.5066 0.6019 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0314 0.0351 0.0311
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0012 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0314 0.0351 0.0311
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0314 0.0351 0.0311
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0314 0.0351 0.0311
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0314 0.0351 0.0311
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0314 0.0351 0.0339
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0314 0.0351 0.0311
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0314 0.0351 0.0311
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0314 0.0351 0.0311
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.187 0.2207 0.2175
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Schistosoma mansoni protein tyrosine phosphatase 0.0314 0.0351 0.0311
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Trypanosoma cruzi hypothetical protein, conserved 0.1562 0.184 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.8405 1 1
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0314 0.0351 0.0311
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Leishmania major hypothetical protein, conserved 0.1562 0.184 1
Loa Loa (eye worm) protein tyrosine phosphatase 0.0314 0.0351 0.0339
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0314 0.0351 0.0311
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.1562 0.184 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Echinococcus multilocularis 0.0314 0.0351 0.0311
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.5066 0.6019 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Brugia malayi hypothetical protein 0.0314 0.0351 0.0351
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0314 0.0351 0.0311
Brugia malayi hypothetical protein 0.003 0.0012 0.0012
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0314 0.0351 0.0311
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0314 0.0351 0.0311
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Schistosoma mansoni protein tyrosine phosphatase 0.0314 0.0351 0.0311
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0314 0.0351 0.0311
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Brugia malayi hypothetical protein 0.0314 0.0351 0.0351
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0314 0.0351 0.1854
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0314 0.0351 0.0311
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Echinococcus multilocularis hypothetical protein 0.0314 0.0351 0.0311
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.5066 0.6019 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0314 0.0351 0.0339
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0314 0.0351 0.0339
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0314 0.0351 0.0311
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0314 0.0351 0.0311
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0314 0.0351 0.0339
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Trypanosoma cruzi hypothetical protein, conserved 0.1562 0.184 1
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.8405 1 1
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0314 0.0351 0.0311
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.8405 1 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.8405 1 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.5066 0.6019 0.6014
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0314 0.0351 0.1854
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.5066 0.6019 0.6019
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0314 0.0351 0.0351
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0314 0.0351 0.1854
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0314 0.0351 0.0311
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.5066 0.6019 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1562 0.184 0.2626
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0314 0.0351 0.0311
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0314 0.0351 0.0311
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0314 0.0351 0.0311
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0314 0.0351 0.0351
Leishmania major tyrosine specific protein phosphatase, putative 0.0314 0.0351 0.1854
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.0144 0.0132
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1562 0.184 0.2626
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0314 0.0351 0.0311
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0314 0.0351 0.0311
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0314 0.0351 0.0311
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0314 0.0351 0.0311
Loa Loa (eye worm) hypothetical protein 0.0314 0.0351 0.0339
Entamoeba histolytica protein tyrosine phosphatase, putative 0.5066 0.6019 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.0971 0.0934
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0314 0.0351 0.0311
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.3505 0.4156 0.5
Schistosoma mansoni pcd6 interacting protein-related 0.0314 0.0351 0.0311

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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