Detailed information for compound 1007807

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 235.322 | Formula: C14H21NO2
  • H donors: 0 H acceptors: 0 LogP: 2.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N1CCOC(C1)COc1ccccc1)C
  • InChi: 1S/C14H21NO2/c1-12(2)15-8-9-16-14(10-15)11-17-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
  • InChiKey: WCHHCBBPGSWTOB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histamine receptor H3 Starlite/ChEMBL References

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 phosphofructokinase, putative 0.0125 0.2528 0.4102
Schistosoma mansoni 6-phosphofructokinase 0.0125 0.2528 0.2528
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.2528 0.3525
Brugia malayi phosphofructokinase 0.0125 0.2528 0.3937
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.2916 1
Brugia malayi 6-phosphofructokinase 0.0125 0.2528 0.3937
Schistosoma mansoni ferritin light chain 0.0008 0.0007 0.0007
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0525 0.1778
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.004 0.0689 0.0689
Echinococcus multilocularis ubiquitin specific protease 41 0.004 0.0689 0.0689
Echinococcus multilocularis tar DNA binding protein 0.0136 0.2772 0.2772
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0689 0.0431
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0305 0.6421 0.6421
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0603 0.0603
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0495 0.0771
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0538 0.0853
Schistosoma mansoni ferritin 0.0008 0.0007 0.0007
Treponema pallidum fructose-bisphosphate aldolase 0.0292 0.6153 1
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0554 0.089
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0125 0.2528 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0554 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0062 0.1175 0.1175
Loa Loa (eye worm) hypothetical protein 0.0055 0.1011 0.1602
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.0689 0.111
Schistosoma mansoni cpg binding protein 0.0035 0.0579 0.0579
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0183 0.0285
Echinococcus granulosus expressed protein 0.0008 0.0007 0.0007
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0001 0.0001
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.004 0.0689 0.1073
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.2528 0.4102
Loa Loa (eye worm) hypothetical protein 0.004 0.0689 0.1092
Loa Loa (eye worm) hypothetical protein 0.0137 0.2792 0.4425
Entamoeba histolytica hypothetical protein 0.0036 0.0603 0.0087
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0607 0.206
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.2916 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0062 0.1175 0.1175
Schistosoma mansoni tar DNA-binding protein 0.0136 0.2772 0.2772
Echinococcus multilocularis 6 phosphofructokinase 0.0125 0.2528 0.2528
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0689 0.111
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0607 0.0975
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0554 0.089
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.0689 0.111
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0042 0.0066
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0868 0.1352
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.2528 0.4102
Echinococcus multilocularis musashi 0.0031 0.0495 0.0495
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0137 0.2792 0.2792
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.004 0.0689 0.0241
Schistosoma mansoni hypothetical protein 0.0164 0.3383 0.3383
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0183 0.029
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.6153 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0483 0.0765
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0216 0.45 0.45
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.004 0.0689 0.0689
Schistosoma mansoni ferritin light chain 0.0008 0.0007 0.0007
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.1011 0.1011
Echinococcus granulosus lamin dm0 0.0031 0.0495 0.0495
Schistosoma mansoni cpg binding protein 0.0033 0.0538 0.0538
Echinococcus multilocularis dnaJ subfamily B 0.047 1 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0062 0.1175 0.183
Echinococcus multilocularis expressed protein 0.0008 0.0007 0.0007
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.4945 0.4945
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0607 0.0607
Brugia malayi TAR-binding protein 0.0136 0.2772 0.4316
Onchocerca volvulus 0.0033 0.0538 0.0845
Schistosoma mansoni tar DNA-binding protein 0.0136 0.2772 0.2772
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0034 0.0554 0.5
Echinococcus multilocularis ferritin 0.0008 0.0007 0.0007
Echinococcus multilocularis lamin 0.0031 0.0495 0.0495
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0034 0.0554 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0603 0.0603
Schistosoma mansoni lamin 0.0031 0.0495 0.0495
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0962 0.0962
Giardia lamblia Fructose-bisphosphate aldolase 0.0292 0.6153 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0607 0.0975
Brugia malayi hypothetical protein 0.0237 0.4945 0.77
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.1011 0.1011
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0001 0.0001
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.2528 0.4102
Loa Loa (eye worm) histone methyltransferase 0.001 0.0045 0.0071
Loa Loa (eye worm) TAR-binding protein 0.0136 0.2772 0.4392
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0607 0.0836
Loa Loa (eye worm) phosphofructokinase 0.0125 0.2528 0.4007
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.2916 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0125 0.2528 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0125 0.2528 0.4102
Onchocerca volvulus 0.0055 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0495 0.0784
Echinococcus multilocularis cpg binding protein 0.0035 0.0579 0.0579
Schistosoma mansoni tar DNA-binding protein 0.0136 0.2772 0.2772
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0607 0.0975
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0034 0.0554 0.089
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0554 0.5
Echinococcus granulosus geminin 0.0164 0.3383 0.3383
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.1339 0.1339
Loa Loa (eye worm) MBCTL1 0.0062 0.1175 0.1862
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0554 0.5
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.004 0.0689 0.0689
Schistosoma mansoni hypothetical protein 0.0048 0.0868 0.0868
Brugia malayi mbt repeat family protein 0.0055 0.1011 0.1574
Echinococcus multilocularis lamin dm0 0.0031 0.0495 0.0495
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0305 0.6421 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0137 0.2792 0.4425
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.1011 0.1011
Brugia malayi RNA binding protein 0.0136 0.2772 0.4316
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0607 0.0093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0962 0.0962
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.004 0.0689 0.0431
Schistosoma mansoni tar DNA-binding protein 0.0136 0.2772 0.2772
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0216 0.45 0.45
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0962 0.0962
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0495 0.0784
Echinococcus granulosus histone acetyltransferase MYST2 0.0062 0.1175 0.1175
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0034 0.0554 0.089
Schistosoma mansoni tar DNA-binding protein 0.0136 0.2772 0.2772
Leishmania major ATP-dependent phosphofructokinase 0.0125 0.2528 1
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0554 0.089
Brugia malayi CXXC zinc finger family protein 0.0033 0.0538 0.0838
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.1011 0.1011
Loa Loa (eye worm) inositol-1 0.0036 0.0607 0.0961
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0125 0.2528 0.8667
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0554 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0603 0.0087
Schistosoma mansoni 6-phosphofructokinase 0.0125 0.2528 0.2528
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.004 0.0689 0.0689
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.6153 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0962 0.1524
Echinococcus multilocularis geminin 0.0164 0.3383 0.3383
Schistosoma mansoni apoferritin-2 0.0008 0.0007 0.0007
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0607 0.0607
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0062 0.1175 0.1175
Echinococcus granulosus ferritin 0.0008 0.0007 0.0007
Entamoeba histolytica hypothetical protein 0.0036 0.0603 0.0087
Schistosoma mansoni apoferritin-2 0.0008 0.0007 0.0007
Onchocerca volvulus 0.0048 0.0868 0.7242
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0607 1
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.1011 0.1602
Schistosoma mansoni survival motor neuron protein 0.0048 0.0868 0.0868
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.6153 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2409 0.3818
Schistosoma mansoni inositol monophosphatase 0.0036 0.0607 0.0607
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0137 0.2792 0.2792
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.1178 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0962 0.0962
Echinococcus granulosus cpg binding protein 0.0035 0.0579 0.0579
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.004 0.0689 0.0689
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0001 0.0001
Schistosoma mansoni ferritin 0.0008 0.0007 0.0007
Mycobacterium ulcerans 6-phosphofructokinase 0.0125 0.2528 0.8667
Schistosoma mansoni inositol monophosphatase 0.0036 0.0607 0.0607
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.1011 0.1011
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.6153 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0125 0.2528 0.4007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.6153 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0125 0.2528 0.8667
Loa Loa (eye worm) hypothetical protein 0.0015 0.0148 0.0234
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0554 0.089
Echinococcus granulosus ubiquitin specific protease 41 0.004 0.0689 0.0689
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0689 0.0431
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.6153 1
Schistosoma mansoni hypothetical protein 0.047 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0962 0.0962
Echinococcus granulosus lamin 0.0031 0.0495 0.0495
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.0689 0.0241
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.1011 0.1011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.6153 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.1011 0.1011
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0137 0.2792 0.4425
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0689 0.0431
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0164 0.3383 0.3383
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0554 0.089
Loa Loa (eye worm) hypothetical protein 0.0014 0.0135 0.0215
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0495 0.0784
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0962 0.0962
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.004 0.0689 0.0689
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.2528 0.3525
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0962 0.0962
Echinococcus granulosus intermediate filament protein 0.0031 0.0495 0.0495
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0603 0.0603
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0962 0.1498
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.2772 0.4316
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.6153 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0603 0.0603
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0305 0.6421 0.6421
Schistosoma mansoni cpg binding protein 0.0035 0.0579 0.0579
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0014 0.0135 0.0215
Echinococcus granulosus tar DNA binding protein 0.0136 0.2772 0.2772
Schistosoma mansoni intermediate filament proteins 0.0031 0.0495 0.0495
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2409 0.3818
Loa Loa (eye worm) hypothetical protein 0.0062 0.1175 0.1862
Schistosoma mansoni ferritin 0.0008 0.0007 0.0007
Brugia malayi intermediate filament protein 0.0031 0.0495 0.0771
Loa Loa (eye worm) voltage-gated potassium channel 0.03 0.631 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.6153 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0125 0.2528 0.4007
Loa Loa (eye worm) hypothetical protein 0.0237 0.4945 0.7836
Brugia malayi Inositol-1 0.0036 0.0607 0.0945
Schistosoma mansoni ferritin 0.0008 0.0007 0.0007
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0554 0.089
Loa Loa (eye worm) RNA binding protein 0.0136 0.2772 0.4392
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0001 0.0001
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.2528 0.3525
Brugia malayi 6-phosphofructokinase 0.0125 0.2528 0.3937
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.2772 0.4392
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0148 0.0148
Entamoeba histolytica hypothetical protein 0.0036 0.0603 0.0087
Brugia malayi mbt repeat family protein 0.0055 0.1011 0.1574
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0525 0.1778
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.4945 0.4945
Schistosoma mansoni lamin 0.0031 0.0495 0.0495
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.6153 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0062 0.1175 0.1175
Brugia malayi MH2 domain containing protein 0.0119 0.2409 0.3752
Echinococcus granulosus 6 phosphofructokinase 0.0125 0.2528 0.2528
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0045 0.0045
Brugia malayi hypothetical protein 0.0036 0.0603 0.0939
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0305 0.6421 0.6421
Schistosoma mansoni hypothetical protein 0.0333 0.7038 0.7038

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4800 nM Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells ChEMBL. 18922693

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

1 literature reference was collected for this gene.

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