Detailed information for compound 1481754

Basic information

Technical information
  • TDR Targets ID: 1481754
  • Name: N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]m ethyl]-N-methyl-2-morpholin-4-ylethanamine
  • MW: 336.817 | Formula: C16H21ClN4O2
  • H donors: 0 H acceptors: 2 LogP: 1.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1onc(n1)c1ccc(cc1)Cl)CCN1CCOCC1
  • InChi: 1S/C16H21ClN4O2/c1-20(6-7-21-8-10-22-11-9-21)12-15-18-16(19-23-15)13-2-4-14(17)5-3-13/h2-5H,6-12H2,1H3
  • InChiKey: IBTRWSBPXLMWTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-morpholino-ethanamine
  • N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-morpholinoethanamine
  • [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-(2-morpholinoethyl)amine
  • N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-morpholin-4-yl-ethanamine
  • MLS000734507
  • N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-morpholin-4-ylethanamine
  • SMR000315348

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
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 C2-HC type zinc finger protein C.e-MyT1 0.0092 0.0711 0.1631
Schistosoma mansoni phd finger protein 0.0039 0.0155 0.0183
Echinococcus granulosus chromobox protein 2 0.019 0.1732 0.3429
Echinococcus multilocularis polycomb protein SCMH1 0.0256 0.2425 0.2425
Plasmodium falciparum JmjC domain-containing protein, putative 0.0028 0.0037 0.5
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0315 0.3046 0.6029
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0092 0.0711 0.0711
Loa Loa (eye worm) hypothetical protein 0.0092 0.0711 0.16
Loa Loa (eye worm) mbt repeat family protein 0.0266 0.2534 0.58
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0371 0.3627 0.4294
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.011 0.0895 0.1772
Schistosoma mansoni sex comb on midleg homolog 0.0256 0.2425 0.2871
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0092 0.0711 0.1406
Echinococcus granulosus lysine specific demethylase 5A 0.009 0.0683 0.1351
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0026 0.0016 0.0032
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0315 0.3046 0.3046
Schistosoma mansoni myelin transcription factor 1 myt1 0.0092 0.0711 0.0841
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.044 0.4357 1
Brugia malayi mbt repeat family protein 0.044 0.4357 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0507 0.5052 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0371 0.3627 0.3627
Echinococcus granulosus histone acetyltransferase myst3 0.0039 0.0155 0.0306
Loa Loa (eye worm) MBCTL1 0.0092 0.0711 0.16
Echinococcus granulosus polycomb protein SCMH1 0.0256 0.2425 0.48
Schistosoma mansoni sex comb on midleg homolog 0.0256 0.2425 0.2871
Echinococcus granulosus SAM and MBT domain containing protein 0.0371 0.3627 0.7179
Brugia malayi mbt repeat family protein 0.0266 0.2534 0.5816
Echinococcus multilocularis chromobox protein 2 0.019 0.1732 0.1732
Echinococcus multilocularis lysine specific demethylase 5A 0.0075 0.0526 0.0526
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0026 0.0016 0.0019
Brugia malayi jmjC domain containing protein 0.0132 0.1126 0.2584
Schistosoma mansoni hypothetical protein 0.0315 0.3046 0.3606
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0026 0.0016 0.0016
Schistosoma mansoni jumonji/arid domain-containing protein 0.009 0.0683 0.0808
Loa Loa (eye worm) hypothetical protein 0.044 0.4357 1
Brugia malayi CHD4 protein 0.0026 0.0016 0.0037
Schistosoma mansoni chromobox protein 0.019 0.1732 0.2051
Plasmodium vivax JmjC domain containing protein 0.0028 0.0037 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0132 0.1126 0.2556
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0031 0.007 0.3694
Echinococcus granulosus histone acetyltransferase MYST2 0.0092 0.0711 0.1406
Schistosoma mansoni jumonji/arid domain-containing protein 0.009 0.0683 0.0808
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.011 0.0895 0.0895
Echinococcus multilocularis histone acetyltransferase myst3 0.0039 0.0155 0.0155
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0507 0.5052 0.5052
Toxoplasma gondii PLU-1 family protein 0.0042 0.0187 1
Schistosoma mansoni hypothetical protein 0.0831 0.8446 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0092 0.0711 0.0711

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0032 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3183 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (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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