Detailed information for compound 1271550

Basic information

Technical information
  • TDR Targets ID: 1271550
  • Name: 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-piperidin- 1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methy l]acetamide
  • MW: 424.902 | Formula: C18H21ClN4O4S
  • H donors: 1 H acceptors: 4 LogP: 2.44 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc(cc1)Cl)NCc1nnc(o1)SCC(=O)N1CCCCC1
  • InChi: 1S/C18H21ClN4O4S/c19-13-4-6-14(7-5-13)26-11-15(24)20-10-16-21-22-18(27-16)28-12-17(25)23-8-2-1-3-9-23/h4-7H,1-3,8-12H2,(H,20,24)
  • InChiKey: NXZNKRXQURCHAI-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
  • 2-(4-chlorophenoxy)-N-[[5-[[2-oxo-2-(1-piperidyl)ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]acetamide
  • 2-(4-chlorophenoxy)-N-[[5-[(2-keto-2-piperidino-ethyl)thio]-1,3,4-oxadiazol-2-yl]methyl]acetamide
  • 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-piperidin-1-yl-ethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]ethanamide
  • 2-(4-chlorophenoxy)-N-({5-[(2-oxo-2-piperidin-1-ylethyl)thio]-1,3,4-oxadiazol-2-yl}methyl)acetamide
  • MLS000091557
  • SMR000026112

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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0277 0.0023
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0255 0.0149
Brugia malayi beta-lactamase 0.0043 0.0255 0.0255
Schistosoma mansoni retinoic acid receptor RXR 0.043 0.795 0.795
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0255 1
Echinococcus granulosus transcription factor Dp 1 0.0308 0.5531 0.5531
Schistosoma mansoni inositol monophosphatase 0.0045 0.0277 0.0277
Onchocerca volvulus 0.0043 0.0255 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0277 0.0023
Brugia malayi beta-lactamase family protein 0.0043 0.0255 0.0255
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0277 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0533 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0255 0.0255
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0533 1 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0255 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0255 0.0255
Mycobacterium tuberculosis Conserved protein 0.0043 0.0255 0.0149
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0255 0.0255
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0255 0.0149
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0533 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0277 0.0023
Echinococcus multilocularis transcription factor Dp 1 0.0308 0.5531 0.5531
Brugia malayi Inositol-1 0.0045 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0043 0.0255 0.0255
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0255 0.0149
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0043 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0043 0.0255 0.0255
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0277 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0255 0.0255
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0533 1 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0255 0.0149
Mycobacterium leprae Probable lipase LipE 0.0043 0.0255 1
Onchocerca volvulus 0.0043 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0255 0.0255
Onchocerca volvulus 0.0043 0.0255 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0533 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0255 0.0255
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0255 0.0149
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0277 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0277 0.0023
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0533 1 1
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0277 0.0277
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0533 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0414 0.7627 0.7627
Echinococcus granulosus retinoic acid receptor rxr beta a 0.043 0.795 0.795
Loa Loa (eye worm) inositol-1 0.0045 0.0277 0.0277
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0255 0.0149
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0533 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.4923 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0255 0.0255
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0255 0.0149
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0277 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0533 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0277 1
Brugia malayi beta-lactamase family protein 0.0043 0.0255 0.0255
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0255 0.0255
Mycobacterium tuberculosis Conserved protein 0.0043 0.0255 0.0149
Loa Loa (eye worm) hypothetical protein 0.0043 0.0255 0.0255
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0255 0.0149
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0277 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0277 0.0277
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0277 0.0277

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 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

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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