Detailed information for compound 288912

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.453 | Formula: C22H26N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.19 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(c1ccccc1)CN1CCC2(CC1)OCC(=O)N(C2)c1ccccc1
  • InChi: 1S/C22H26N2O3/c25-20(18-7-3-1-4-8-18)15-23-13-11-22(12-14-23)17-24(21(26)16-27-22)19-9-5-2-6-10-19/h1-10,20,25H,11-17H2
  • InChiKey: MGUGEGGOSCITJA-UHFFFAOYSA-N  

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
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0123 1 1
Toxoplasma gondii hypothetical protein 0.0006 0.0218 0.1759
Giardia lamblia Sgs1 DNA helicase, putative 0.0007 0.0277 0.2094
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0008 0.0356 0.0983
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Brugia malayi regulator of G-protein signaling egl-10 0.0006 0.0218 0.0198
Loa Loa (eye worm) hypothetical protein 0.0083 0.6598 0.6591
Plasmodium falciparum ataxin-2 like protein, putative 0.0017 0.1149 0.9232
Onchocerca volvulus 0.0006 0.0218 0.0198
Echinococcus multilocularis segment polarity protein dishevelled 0.0006 0.0218 0.0578
Entamoeba histolytica inositol polyphosphate-5-phosphatase, putative 0.0004 0.0021 0.017
Plasmodium falciparum ataxin-2 like protein, putative 0.0017 0.1149 0.9232
Brugia malayi hypothetical protein 0.0011 0.064 0.062
Echinococcus multilocularis regulator of G protein signaling 7 0.0006 0.0218 0.0578
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0004 0.0073 0.0426
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.3434 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.3434 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.1242 0.3578
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0637 0.5045
Loa Loa (eye worm) TAR-binding protein 0.0043 0.3322 0.3308
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0007 0.0277 0.2094
Leishmania major hypothetical protein, conserved 0.0017 0.1149 0.9232
Brugia malayi RasGEF domain containing protein 0.0004 0.0073 0.0052
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Echinococcus granulosus regulator of G protein signaling 7 0.0006 0.0218 0.0578
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Loa Loa (eye worm) RasGEF domain-containing protein 0.0004 0.0073 0.0052
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Trypanosoma cruzi PAB1-binding protein , putative 0.0017 0.1149 0.9232
Echinococcus multilocularis ras GTP exchange factor 0.0004 0.0073 0.0152
Schistosoma mansoni tar DNA-binding protein 0.0043 0.3322 0.9672
Schistosoma mansoni tar DNA-binding protein 0.0043 0.3322 0.9672
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Schistosoma mansoni DNA helicase recq1 0.0007 0.0277 0.0749
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.3434 0.342
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Echinococcus multilocularis Protein son of sevenless 0.0004 0.0073 0.0152
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.1242 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Brugia malayi RNA binding protein 0.0043 0.3322 0.3308
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0004 0.0073 0.0152
Brugia malayi RasGEF domain containing protein 0.0004 0.0073 0.0052
Schistosoma mansoni blooms syndrome DNA helicase 0.0013 0.0792 0.226
Loa Loa (eye worm) hypothetical protein 0.0123 1 1
Brugia malayi hypothetical protein 0.0017 0.1149 0.113
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0007 0.0277 0.0749
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Trichomonas vaginalis DNA helicase recq, putative 0.0009 0.0443 0.3455
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0007 0.0277 0.2229
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0004 0.0073 0.0152
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0007 0.0277 0.2229
Onchocerca volvulus 0.0004 0.0073 0.0052
Schistosoma mansoni dep domain containing protein 0.0006 0.0218 0.0578
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0043 0.3322 0.3308
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0996 0.2855
Trypanosoma brucei PAB1-binding protein , putative 0.0017 0.1149 0.9232
Brugia malayi TAR-binding protein 0.0043 0.3322 0.3308
Echinococcus granulosus Protein son of sevenless 0.0004 0.0073 0.0152
Schistosoma mansoni ras GTP exchange factor 0.0004 0.0073 0.0152
Loa Loa (eye worm) RasGEF domain-containing protein 0.0004 0.0073 0.0052
Echinococcus granulosus segment polarity protein dishevelled 0.0006 0.0218 0.0578
Echinococcus granulosus GPCR family 2 0.0015 0.0996 0.2855
Brugia malayi hypothetical protein 0.0006 0.0218 0.0198
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0996 0.2855
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0007 0.0277 0.0749
Echinococcus multilocularis bloom syndrome protein 0.0016 0.108 0.3103
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.1242 1
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0426
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0006 0.0218 0.0578
Loa Loa (eye worm) RasGEF domain-containing protein 0.0004 0.0073 0.0052
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.1242 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0008 0.0356 0.0983
Echinococcus multilocularis regulator of G protein signaling 7 0.0006 0.0218 0.0578
Brugia malayi Bloom's syndrome protein homolog 0.0016 0.108 0.1061
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Schistosoma mansoni hypothetical protein 0.0015 0.0996 0.2855
Brugia malayi RNA recognition motif domain containing protein 0.0043 0.3322 0.3308
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.3434 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0006 0.0218 0.0198
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.3768 0.3755
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0004 0.0073 0.0152
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.1242 0.5
Loa Loa (eye worm) DIX domain-containing protein 0.0006 0.0218 0.0198
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0006 0.0218 0.0198
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.3434 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.1242 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0014 0.0914 0.7312
Schistosoma mansoni ap endonuclease 0.0018 0.1242 0.3578
Toxoplasma gondii LsmAD domain-containing protein 0.0017 0.1149 0.9245
Echinococcus granulosus regulator of G protein signaling 7 0.0006 0.0218 0.0578
Loa Loa (eye worm) hypothetical protein 0.0015 0.0996 0.0977
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Trypanosoma cruzi hypothetical protein 0.0004 0.0073 0.0426
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0004 0.0073 0.0152
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Schistosoma mansoni hypothetical protein 0.0008 0.0356 0.0983
Brugia malayi RasGEF domain containing protein 0.0004 0.0073 0.0052
Schistosoma mansoni hypothetical protein 0.0033 0.2485 0.7219
Echinococcus granulosus son of sevenless 1 0.0004 0.0073 0.0152
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0004 0.0073 0.0052
Loa Loa (eye worm) hypothetical protein 0.0049 0.3768 0.3755
Loa Loa (eye worm) hypothetical protein 0.0004 0.0073 0.0052
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0626 0.504
Schistosoma mansoni dishevelled 0.0006 0.0218 0.0578
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0007 0.0277 0.0256
Entamoeba histolytica recQ family helicase, putative 0.0009 0.0443 0.3566
Schistosoma mansoni regulator of G protein signaling 0.0006 0.0218 0.0578
Brugia malayi DIX domain containing protein 0.0006 0.0218 0.0198
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.1242 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0009 0.0443 0.3455
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0004 0.0021 0.017
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.1242 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0006 0.0218 0.0198
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.1242 0.1224
Entamoeba histolytica hypothetical protein 0.0004 0.0073 0.0589
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0996 0.0977
Schistosoma mansoni z-protein (S1r protein) 0.0006 0.0218 0.0578
Plasmodium vivax ataxin-2 like protein, putative 0.0017 0.1149 0.9232
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0004 0.0073 0.0152
Schistosoma mansoni hypothetical protein 0.0015 0.0996 0.2855
Loa Loa (eye worm) RNA binding protein 0.0043 0.3322 0.3308
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0007 0.0277 0.0749
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0006 0.0218 0.0198
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3434 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.1242 0.1224
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0004 0.0073 0.0426
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.1242 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0009 0.0443 0.3455
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.1242 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.3768 0.3755
Echinococcus granulosus Pleckstrin G protein interacting region 0.0006 0.0218 0.0578
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.2485 0.2469
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Brugia malayi hypothetical protein 0.0006 0.0218 0.0198
Schistosoma mansoni hypothetical protein 0.0015 0.0996 0.2855
Echinococcus granulosus tar DNA binding protein 0.0043 0.3322 0.9672
Trichomonas vaginalis DNA helicase recq1, putative 0.0016 0.108 0.8672
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0007 0.0277 0.0256
Echinococcus multilocularis tar DNA binding protein 0.0043 0.3322 0.9672
Trichomonas vaginalis ras GTP exchange factor, putative 0.0004 0.0073 0.0426
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.3434 0.342
Echinococcus granulosus ras GTP exchange factor 0.0004 0.0073 0.0152
Loa Loa (eye worm) hypothetical protein 0.0004 0.0073 0.0052
Brugia malayi N-terminal motif family protein 0.0004 0.0073 0.0052
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.3768 0.3755
Schistosoma mansoni hypothetical protein 0.0015 0.0996 0.2855
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0996 0.2855
Brugia malayi N-terminal motif family protein 0.0004 0.0073 0.0052
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0996 0.0977
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0004 0.0073 0.0152
Loa Loa (eye worm) hypothetical protein 0.0033 0.2485 0.2469
Schistosoma mansoni tar DNA-binding protein 0.0043 0.3322 0.9672
Loa Loa (eye worm) hypothetical protein 0.0006 0.0218 0.0198
Schistosoma mansoni ap endonuclease 0.0018 0.1242 0.3578
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0996 0.0977
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0004 0.0073 0.0152
Trichomonas vaginalis DNA helicase recq, putative 0.0016 0.108 0.8672
Trypanosoma cruzi PAB1-binding protein , putative 0.0017 0.1149 0.9232
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0007 0.0277 0.0749
Schistosoma mansoni dishevelled 0.0006 0.0218 0.0578
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.0021 0.017
Toxoplasma gondii exonuclease III APE 0.0018 0.1242 1
Echinococcus multilocularis son of sevenless 1 0.0004 0.0073 0.0152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3434 1
Trichomonas vaginalis ras GTP exchange factor, putative 0.0004 0.0073 0.0426
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0004 0.0021 0.017
Loa Loa (eye worm) RecQ helicase 0.0016 0.108 0.1061
Entamoeba histolytica inositol polyphosphate 5-phosphatase, putative 0.0004 0.0021 0.017
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.1242 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.1242 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0009 0.0443 0.3455
Schistosoma mansoni tar DNA-binding protein 0.0043 0.3322 0.9672
Loa Loa (eye worm) hypothetical protein 0.0006 0.0218 0.0198
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0007 0.0277 0.0256
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0996 0.2855
Trypanosoma cruzi hypothetical protein 0.0004 0.0073 0.0426
Echinococcus granulosus bloom syndrome protein 0.0016 0.108 0.3103
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.1242 0.3578
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.1242 1
Echinococcus multilocularis GPCR, family 2 0.0015 0.0996 0.2855
Loa Loa (eye worm) hypothetical protein 0.0006 0.0218 0.0198
Echinococcus multilocularis segment polarity protein dishevelled 0.0006 0.0218 0.0578
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.1242 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0004 0.0055 0.0101
Loa Loa (eye worm) hypothetical protein 0.0007 0.0277 0.0256
Loa Loa (eye worm) hypothetical protein 0.0017 0.1149 0.113
Schistosoma mansoni DNA helicase recq5 0.0007 0.0277 0.0749
Schistosoma mansoni tar DNA-binding protein 0.0043 0.3322 0.9672
Entamoeba histolytica sphingomyelinase C precursor, putative 0.0004 0.0021 0.017
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0004 0.0073 0.0589
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0006 0.0218 0.0578
Echinococcus granulosus segment polarity protein dishevelled 0.0006 0.0218 0.0578
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.1242 1
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0004 0.0073 0.0152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3434 1

Activities

Activity type Activity value Assay description Source Reference
Decrease in SBP (functional) NA 0 % Percentage fall in systolic blood pressure after 1 hr at 25 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) NA 0 % Percentage fall in systolic blood pressure after 3 hr at 25 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) = 16 % Percentage fall in systolic blood pressure after 4 hr at 25 mg/kg given perorally ChEMBL. 6133954
Decrease in SBP (functional) = 25 % Percentage fall in systolic blood pressure after 2 hr at 25 mg/kg given perorally ChEMBL. 6133954

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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