Detailed information for compound 1545777

Basic information

Technical information
  • TDR Targets ID: 1545777
  • Name: [2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(4-met hoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methan one
  • MW: 394.464 | Formula: C23H26N2O4
  • H donors: 1 H acceptors: 3 LogP: 3.74 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1CCCCN1C(=O)c1ccc2c(c1)oc(n2)Cc1ccc(cc1)OC
  • InChi: 1S/C23H26N2O4/c1-28-19-8-5-16(6-9-19)14-22-24-20-10-7-17(15-21(20)29-22)23(27)25-12-3-2-4-18(25)11-13-26/h5-10,15,18,26H,2-4,11-14H2,1H3
  • InChiKey: PVVXRJXVFCVRFM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(2-hydroxyethyl)-1-piperidyl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone
  • [2-(2-hydroxyethyl)-1-piperidinyl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone
  • [2-(2-hydroxyethyl)-1-piperidyl]-[2-(4-methoxybenzyl)-1,3-benzoxazol-6-yl]methanone

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
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1566 1
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0004 0.005 0.005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.1566 0.5
Brugia malayi RNA binding protein 0.0064 0.6375 0.6375
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1566 1
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0004 0.005 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0299 0.1911
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.6375 0.6375
Loa Loa (eye worm) hypothetical protein 0.0004 0.005 0.005
Loa Loa (eye worm) RNA binding protein 0.0064 0.6375 0.6375
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0004 0.005 0.005
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.1566 0.5
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0004 0.005 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0299 0.1911
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0004 0.005 0.005
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.005 0.005
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.1566 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.1566 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.3358 0.3358
Brugia malayi hypothetical protein 0.0036 0.3358 0.3358
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0299 0.1911
Brugia malayi TAR-binding protein 0.0064 0.6375 0.6375
Schistosoma mansoni cpg binding protein 0.0029 0.2674 0.2674
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.1566 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0299 0.1911
Schistosoma mansoni tar DNA-binding protein 0.0064 0.6375 0.6375
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0004 0.005 0.005
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.6115 0.6115
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0366 0.0366
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0004 0.005 0.0322
Onchocerca volvulus 0.0004 0.005 0.0188
Schistosoma mansoni tar DNA-binding protein 0.0064 0.6375 0.6375
Schistosoma mansoni ap endonuclease 0.0019 0.1566 0.1566
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 1 1
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0004 0.005 0.005
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0004 0.005 0.005
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.1566 0.4664
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0004 0.005 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0299 0.1911
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0299 0.1911
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.1566 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0299 0.1911
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.005 0.005
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1566 1
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0004 0.005 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 1 1
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0004 0.005 0.0322
Entamoeba histolytica hypothetical protein 0.0036 0.3358 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0554 0.0554
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0366 0.0366
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0004 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0004 0.005 0.005
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0044 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0299 0.1911
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0004 0.005 0.005
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.005 0.0322
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0004 0.005 0.005
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.1566 0.1566
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.1566 0.1566
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0004 0.005 0.005
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0366 0.0366
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0004 0.005 0.005
Schistosoma mansoni cpg binding protein 0.0031 0.2849 0.2849
Onchocerca volvulus 0.0029 0.2674 1
Echinococcus granulosus expressed protein 0.0004 0.005 0.005
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0004 0.005 0.005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0299 0.1911
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0366 0.0366
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0299 0.1911
Schistosoma mansoni GTP-binding protein alpha subunit 0.0004 0.005 0.005
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1566 1
Schistosoma mansoni ap endonuclease 0.0019 0.1566 0.1566
Schistosoma mansoni tar DNA-binding protein 0.0064 0.6375 0.6375
Onchocerca volvulus 0.0004 0.005 0.0188
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0299 0.1911
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.3358 0.3358
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.6375 0.6375
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.542 1
Entamoeba histolytica hypothetical protein 0.0036 0.3358 1
Entamoeba histolytica hypothetical protein 0.0036 0.3358 1
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0004 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0004 0.005 0.005
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0004 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0036 0.3358 0.3358
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.005 0.0322
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0004 0.005 0.0322
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0004 0.005 0.0322
Schistosoma mansoni GTP-binding protein alpha subunit 0.0004 0.005 0.005
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.1566 1
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0004 0.005 0.005
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0554 0.0554
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0299 0.1911
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0299 0.1911
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0366 0.0366
Echinococcus granulosus tar DNA binding protein 0.0064 0.6375 0.6375
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 1 1
Echinococcus multilocularis cpg binding protein 0.0031 0.2849 0.2849
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.1566 0.1566
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0004 0.005 0.005
Echinococcus granulosus cpg binding protein 0.0031 0.2849 0.2849
Schistosoma mansoni tar DNA-binding protein 0.0064 0.6375 0.6375
Brugia malayi G-protein alpha subunit 0.0004 0.005 0.005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0299 0.1911
Trichomonas vaginalis helicase, putative 0.0007 0.0299 0.1911
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0004 0.005 0.005
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 1 1
Onchocerca volvulus 0.0004 0.005 0.0188
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0004 0.005 0.005
Toxoplasma gondii exonuclease III APE 0.0019 0.1566 0.289
Echinococcus multilocularis tar DNA binding protein 0.0064 0.6375 0.6375
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.1566 1
Schistosoma mansoni cpg binding protein 0.0031 0.2849 0.2849
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0004 0.005 0.005
Loa Loa (eye worm) G protein alpha subunit 3 0.0004 0.005 0.005
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.3358 0.3358
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0299 0.1911
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0299 0.1911
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0541 0.0541
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.1566 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0299 0.1911
Loa Loa (eye worm) hypothetical protein 0.0004 0.005 0.005
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0004 0.005 0.005
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0004 0.005 0.005
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0004 0.005 0.005
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.005 0.0322
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0004 0.005 0.005
Loa Loa (eye worm) TAR-binding protein 0.0064 0.6375 0.6375
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.005 0.0322
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0004 0.005 0.005
Entamoeba histolytica G protein alpha subunit, putative 0.0004 0.005 0.015
Entamoeba histolytica hypothetical protein 0.0036 0.3358 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.2674 0.2674
Schistosoma mansoni tar DNA-binding protein 0.0064 0.6375 0.6375
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.2674 0.2674
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0004 0.005 0.005
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0004 0.005 0.005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 1 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.005 0.005
Echinococcus multilocularis expressed protein 0.0004 0.005 0.005
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.1566 0.1566
Brugia malayi hypothetical protein 0.0004 0.005 0.005
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0004 0.005 0.005
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0004 0.005 0.005

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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