Detailed information for compound 1053184

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 286.369 | Formula: C17H22N2O2
  • H donors: 2 H acceptors: 2 LogP: 3.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)c1occ(n1)CNC1CCCCCC1
  • InChi: 1S/C17H22N2O2/c20-16-9-7-13(8-10-16)17-19-15(12-21-17)11-18-14-5-3-1-2-4-6-14/h7-10,12,14,18,20H,1-6,11H2
  • InChiKey: FNQLNCPWYCBFMW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.05 0.2148
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0067 0.0268
Entamoeba histolytica hypothetical protein 0.0036 0.125 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.125 0.125
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0132 0.0132
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0767 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.05 0.5
Brugia malayi nuclear hormone receptor 0.001 0.0132 0.0132
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0132 0.0132
Schistosoma mansoni dep domain containing protein 0.0009 0.0067 0.0268
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1653 0.1653
Echinococcus multilocularis tar DNA binding protein 0.0065 0.2515 0.2515
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0132 0.0525
Schistosoma mansoni ap endonuclease 0.0019 0.05 0.199
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0067 0.0067
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1785 0.1785
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.233 0.233
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0132 0.0132
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1653 0.6574
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.05 0.2148
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.2515 0.2515
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0067 0.0089
Onchocerca volvulus 0.0009 0.0067 0.0089
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.018 0.7558 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.05 1
Toxoplasma gondii exonuclease III APE 0.0019 0.05 0.1914
Brugia malayi hypothetical protein 0.0009 0.0067 0.0067
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2515 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0132 0.0132
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0132 0.0525
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.125 0.4969
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0132 0.0525
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0767 1
Schistosoma mansoni dishevelled 0.0009 0.0067 0.0268
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0132 0.0132
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.05 0.05
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0132 0.0132
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.233 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0132 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.001 0.0132 0.0132
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.233 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0132 0.0132
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0067 0.0067
Schistosoma mansoni ap endonuclease 0.0019 0.05 0.199
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1653 0.1653
Loa Loa (eye worm) hypothetical protein 0.001 0.0132 0.0132
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0132 0.0132
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.125 0.125
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.001 0.0132 0.0132
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1653 0.1653
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0067 0.0067
Schistosoma mansoni nuclear hormone receptor 0.001 0.0132 0.0525
Brugia malayi hypothetical protein 0.0036 0.125 0.125
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0132 0.0525
Brugia malayi steroid hormone receptor 0.001 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.001 0.0132 0.0132
Echinococcus granulosus FTZ F1 alpha 0.001 0.0132 0.0132
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0132 0.0525
Entamoeba histolytica hypothetical protein 0.0036 0.125 1
Brugia malayi DIX domain containing protein 0.0009 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.001 0.0132 0.0132
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0132 0.0132
Brugia malayi N-terminal motif family protein 0.018 0.7558 0.7558
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.05 0.05
Loa Loa (eye worm) hypothetical protein 0.001 0.0132 0.0132
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.233 1
Schistosoma mansoni hypothetical protein 0.0036 0.125 0.4969
Brugia malayi RNA binding protein 0.0065 0.2515 0.2515
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0132 0.0132
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1653 0.1653
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0132 0.0132
Schistosoma mansoni hypothetical protein 0.0048 0.1785 0.7096
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.05 0.05
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0067 0.0067
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0132 0.0132
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.233 0.9263
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2515 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0132 0.0525
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0067 0.0067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1653 0.6574
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.001 0.0132 0.0132
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0132 0.0132
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0025 0.0767 0.0767
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0067 0.0268
Schistosoma mansoni hypothetical protein 0.0011 0.0167 0.0666
Loa Loa (eye worm) hypothetical protein 0.001 0.0132 0.0132
Loa Loa (eye worm) TAR-binding protein 0.0065 0.2515 0.2515
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.05 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2515 1
Loa Loa (eye worm) RNA binding protein 0.0065 0.2515 0.2515
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.05 1
Entamoeba histolytica hypothetical protein 0.0036 0.125 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0132 0.0132
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0067 0.0067
Schistosoma mansoni survival motor neuron protein 0.0048 0.1785 0.7096
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0132 0.0132
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.05 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0132 0.0132
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0132 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0132 0.0132
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0167 0.0167
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0132 0.0132
Brugia malayi hypothetical protein 0.0016 0.0382 0.0382
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0767 1
Mycobacterium leprae POSSIBLE L-ASPARAGINE PERMEASE ANSP1 (L-ASPARAGINE TRANSPORT PROTEIN) 0.0007 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0065 0.2515 0.2515
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0067 0.0067
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0067 0.0067
Brugia malayi ecdysteroid receptor 0.001 0.0132 0.0132
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0132 0.0132
Onchocerca volvulus 0.0048 0.1785 0.2361
Brugia malayi hypothetical protein 0.0009 0.0067 0.0067
Schistosoma mansoni dishevelled 0.0009 0.0067 0.0268
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1653 0.1653
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0767 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0132 0.0132
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0067 0.0067
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0167 0.0167
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0067 0.0067
Mycobacterium leprae POSSIBLE L-ASPARAGINE PERMEASE ANSP2 (L-ASPARAGINE TRANSPORT PROTEIN) 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0132 0.0132
Entamoeba histolytica hypothetical protein 0.0036 0.125 1
Brugia malayi nuclear receptor NHR-88 0.001 0.0132 0.0132
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2515 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0767 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0132 0.0175
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0132 0.0525
Loa Loa (eye worm) hypothetical protein 0.0009 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.018 0.7558 0.7558
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0067 0.0067
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.233 1
Onchocerca volvulus 0.001 0.0132 0.0175
Leishmania major hypothetical protein, conserved 0.0025 0.0767 0.1459
Schistosoma mansoni coup transcription factor 0.001 0.0132 0.0525
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0132 0.0132
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.05 0.05
Loa Loa (eye worm) hypothetical protein 0.0009 0.0067 0.0067
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0132 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0132 0.0132
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2515 1
Brugia malayi TAR-binding protein 0.0065 0.2515 0.2515
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0132 0.0525
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1653 0.6574
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0132 0.0132
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0132 0.0525
Loa Loa (eye worm) hypothetical protein 0.0236 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0767 1
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0132 0.0132
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0132 0.0132
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0067 0.0067
Echinococcus granulosus survival motor neuron protein 1 0.0236 1 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0132 0.0525
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0132 0.0132
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0067 0.0268
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0009 0.0067 0.0067
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0132 0.0132
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0132 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0132 0.0132
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.233 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.233 0.233
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0067 0.0067
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0132 0.0175
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0132 0.0132
Echinococcus multilocularis survival motor neuron protein 1 0.0236 1 1
Brugia malayi hypothetical protein 0.0025 0.0767 0.0767
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0132 0.0175
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0132 0.0132
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.233 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.233 0.9263
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0132 0.0132
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.2515 0.2515
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1653 0.1653
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0132 0.0132
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0067 0.0067
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0767 0.3094
Schistosoma mansoni thyroid hormone receptor 0.001 0.0132 0.0525

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 16 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 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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