Detailed information for compound 1465026

Basic information

Technical information
  • TDR Targets ID: 1465026
  • Name: (1S)-2-phenyl-1-(5-propan-2-ylsulfanyl-1,3,4- oxadiazol-2-yl)ethanamine
  • MW: 263.359 | Formula: C13H17N3OS
  • H donors: 1 H acceptors: 2 LogP: 2.28 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Sc1nnc(o1)[C@H](Cc1ccccc1)N)C
  • InChi: 1S/C13H17N3OS/c1-9(2)18-13-16-15-12(17-13)11(14)8-10-6-4-3-5-7-10/h3-7,9,11H,8,14H2,1-2H3/t11-/m0/s1
  • InChiKey: MWNXXKVVEQRJBR-NSHDSACASA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1S)-1-(5-isopropylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenyl-ethanamine
  • (1S)-1-[5-(isopropylthio)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
  • [(1S)-1-[5-(isopropylthio)-1,3,4-oxadiazol-2-yl]-2-phenyl-ethyl]amine
  • STOCK4S-14069

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
Brugia malayi SRC-1 0.0171 0.0315 0.0341
Leishmania major hypothetical protein, conserved 0.0244 0.0528 0.5
Echinococcus granulosus bone morphogenetic protein 2 0.01 0.0106 0.0076
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.09 0.2443 0.242
Echinococcus granulosus roundabout 2 0.0093 0.0086 0.0056
Echinococcus multilocularis roundabout 2 0.0093 0.0086 0.0056
Brugia malayi protein C17H12.11 0.1352 0.3764 0.4215
Echinococcus granulosus tgf beta family 0.01 0.0106 0.0076
Loa Loa (eye worm) hypothetical protein 0.0612 0.1601 0.1785
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0171 0.0315 0.0286
Loa Loa (eye worm) SRC-1 0.0171 0.0315 0.0341
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0171 0.0315 0.0286
Brugia malayi Immunoglobulin I-set domain containing protein 0.0979 0.2672 0.2989
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0082 0.0054 0.0024
Brugia malayi Transforming growth factor beta like domain containing protein 0.01 0.0106 0.0106
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0979 0.2672 0.2989
Loa Loa (eye worm) hypothetical protein 0.0093 0.0086 0.0083
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit 0.0244 0.0528 0.5
Brugia malayi hypothetical protein 0.01 0.0106 0.0106
Loa Loa (eye worm) bone morphogenic protein 6 0.039 0.0954 0.1058
Loa Loa (eye worm) TK protein kinase 0.0146 0.0239 0.0256
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0171 0.0315 0.0286
Brugia malayi Tyrosine-protein kinase abl-1 0.0082 0.0054 0.0047
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0244 0.0528 0.058
Brugia malayi bone morphogenetic protein type 1 receptor 0.208 0.5889 0.6602
Brugia malayi metabotropic glutamate receptor type 2 0.0128 0.0189 0.0199
Loa Loa (eye worm) hypothetical protein 0.01 0.0106 0.0106
Echinococcus granulosus c src tyrosine kinase 0.0082 0.0054 0.0024
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta 0.0244 0.0528 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.022 0.0458 0.0788
Onchocerca volvulus 0.0871 0.2359 0.9456
Echinococcus multilocularis serine:threonine protein kinase receptor R3 0.2515 0.7161 0.7152
Toxoplasma gondii 5'-AMP-activated protein kinase subunit beta-1 family protein, putative 0.0144 0.0235 0.5
Brugia malayi Transforming growth factor beta like domain containing protein 0.3116 0.8914 1
Loa Loa (eye worm) growth/differentiation factor 10 0.01 0.0106 0.0106
Echinococcus multilocularis tyrosine protein kinase Srms 0.0146 0.0239 0.021
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.2656 0.7572 0.8493
Echinococcus granulosus tyrosine protein kinase Fyn 0.0171 0.0315 0.0286
Loa Loa (eye worm) 5'-AMP-activated protein kinase 0.0244 0.0528 0.058
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0082 0.0054 0.5
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0238 0.0511 0.0561
Echinococcus multilocularis tyrosine protein kinase Blk 0.0146 0.0239 0.021
Echinococcus granulosus tyrosine protein kinase Src64B 0.0171 0.0315 0.0286
Echinococcus multilocularis activin receptor type 0.3488 1 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0146 0.0239 0.021
Echinococcus granulosus tyrosine protein kinase Blk 0.0146 0.0239 0.021
Schistosoma mansoni cell adhesion molecule 0.0078 0.0042 0.0072
Echinococcus multilocularis TGF beta receptor type 1 0.2054 0.5813 0.5801
Echinococcus granulosus tyrosine protein kinase Lyn 0.0175 0.0325 0.0296
Loa Loa (eye worm) glutamate receptor 0.0263 0.0583 0.0642
Echinococcus granulosus TGF-beta receptor type-1 0.2054 0.5813 0.5801
Loa Loa (eye worm) hypothetical protein 0.0078 0.0042 0.0034
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0171 0.0315 0.0286
Echinococcus granulosus 5' AMP activated protein kinase subunit beta 1 0.0131 0.0197 0.0168
Loa Loa (eye worm) TKL/STKR/TYPE2 protein kinase 0.1356 0.3774 0.4227
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0082 0.0054 0.0092
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0082 0.0054 0.5
Onchocerca volvulus Alicorn homolog 0.0213 0.0437 0.1392
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0299 0.0688 0.1184
Echinococcus granulosus tyrosine protein kinase Src42A 0.0116 0.0154 0.0124
Schistosoma mansoni tyrosine kinase 0.0082 0.0054 0.0092
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0082 0.0054 0.0024
Echinococcus multilocularis 5' AMP activated protein kinase subunit beta 1 0.0131 0.0197 0.0168
Loa Loa (eye worm) hypothetical protein 0.01 0.0106 0.0106
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative 0.0244 0.0528 0.5
Schistosoma mansoni protein kinase subunit beta 0.0131 0.0197 0.0339
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.208 0.5889 0.6602
Loa Loa (eye worm) hypothetical protein 0.084 0.2268 0.2534
Echinococcus granulosus TGF beta receptor type 1 0.2054 0.5813 0.5801
Brugia malayi protein-tyrosine kinase 0.0146 0.0239 0.0256
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0324 0.0761 0.0733
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative 0.0244 0.0528 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0171 0.0315 0.0286
Schistosoma mansoni tyrosine kinase 0.0171 0.0315 0.0542
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0171 0.0315 0.0286
Brugia malayi hypothetical protein 0.01 0.0106 0.0106
Echinococcus multilocularis tgf beta family 0.01 0.0106 0.0076
Echinococcus multilocularis AMPK beta subunit 0.0244 0.0528 0.0499
Echinococcus multilocularis anti dorsalizing morphogenetic protein 1a 0.039 0.0954 0.0927
Echinococcus granulosus twitchin 0.0077 0.004 0.001
Entamoeba histolytica protein kinase, putative 0.0119 0.0162 0.5
Echinococcus multilocularis metabotropic glutamate receptor 2 0.022 0.0458 0.043
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0116 0.0154 0.0124
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0171 0.0315 0.0286
Schistosoma mansoni metabotropic glutamate receptor 0.0128 0.0189 0.0325
Echinococcus multilocularis c src tyrosine kinase 0.0082 0.0054 0.0024
Loa Loa (eye worm) hypothetical protein 0.1352 0.3764 0.4215
Loa Loa (eye worm) TK protein kinase 0.0119 0.0162 0.0169
Schistosoma mansoni protein kinase 0.2054 0.5813 1
Schistosoma mansoni protein kinase subunit beta 0.0244 0.0528 0.0908
Loa Loa (eye worm) hypothetical protein 0.0093 0.0086 0.0083
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0171 0.0315 0.0286
Loa Loa (eye worm) hypothetical protein 0.0922 0.2507 0.2803
Echinococcus multilocularis tyrosine protein kinase HCK 0.0119 0.0162 0.0133
Brugia malayi Transforming growth factor beta like domain containing protein 0.039 0.0954 0.1058
Echinococcus multilocularis bone morphogenetic protein 2 0.01 0.0106 0.0076
Schistosoma mansoni tgf-beta family 0.01 0.0106 0.0182
Echinococcus granulosus tyrosine protein kinase Src42A 0.0171 0.0315 0.0286
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0078 0.0042 0.0012
Schistosoma mansoni nephrin 0.0074 0.003 0.0051
Echinococcus granulosus AMPK beta subunit 0.0244 0.0528 0.0499
Echinococcus multilocularis tyrosine protein kinase Abl 0.0082 0.0054 0.0024
Echinococcus granulosus tyrosine protein kinase HCK 0.0119 0.0162 0.0133
Brugia malayi hypothetical protein 0.1352 0.3764 0.4215
Brugia malayi Protein kinase domain containing protein 0.2656 0.7572 0.8493
Echinococcus granulosus tyrosine kinase 0.0146 0.0239 0.021
Schistosoma mansoni tyrosine kinase 0.0082 0.0054 0.0092
Loa Loa (eye worm) hypothetical protein 0.0324 0.0761 0.0842
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0146 0.0239 0.021
Schistosoma mansoni tgf-beta family 0.01 0.0106 0.0182
Echinococcus granulosus tyrosine protein kinase Fyn 0.0171 0.0315 0.0286
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0171 0.0315 0.0286
Schistosoma mansoni protein kinase 0.1615 0.4531 0.7794
Loa Loa (eye worm) glutamate receptor 0.0104 0.0117 0.0118
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0171 0.0315 0.0286
Onchocerca volvulus Tyrosine kinase homolog 0.0916 0.2488 1
Loa Loa (eye worm) LjBmp2/4b 0.3116 0.8914 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0324 0.0761 0.0733
Schistosoma mansoni tyrosine kinase 0.0171 0.0315 0.0542
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0171 0.0315 0.0286
Echinococcus granulosus anti dorsalizing morphogenetic protein 1a 0.039 0.0954 0.0927
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0244 0.0528 0.058
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.059 0.1537 0.2644
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0171 0.0315 0.0286
Brugia malayi Metabotropic glutamate receptor precursor. 0.0263 0.0583 0.0642
Echinococcus granulosus metabotropic glutamate receptor 2 0.022 0.0458 0.043

Activities

No activities found for this compound.

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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