Detailed information for compound 1090574

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 287.354 | Formula: C17H21NO3
  • H donors: 1 H acceptors: 2 LogP: 2.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN(Cc1ccccc1)CCC(=O)c1ccc(o1)C
  • InChi: 1S/C17H21NO3/c1-14-7-8-17(21-14)16(20)9-10-18(11-12-19)13-15-5-3-2-4-6-15/h2-8,19H,9-13H2,1H3
  • InChiKey: FCEOSYYNRTZMKO-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
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.3034 0.31
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0044 0.175 0.5
Trichomonas vaginalis heat shock protein, putative 0.0047 0.1927 1
Schistosoma mansoni hypothetical protein 0.0053 0.2281 0.2343
Echinococcus granulosus intermediate filament protein 0.0028 0.0737 0.0651
Entamoeba histolytica hypothetical protein 0.0041 0.1542 0.774
Loa Loa (eye worm) heat shock protein 75 0.0031 0.0956 0.092
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0166 0.9295 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0222 0.1149
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0111 0.0114
Trypanosoma brucei heat shock protein 90, putative 0.0047 0.1927 1
Schistosoma mansoni ap endonuclease 0.0019 0.0222 0.0228
Echinococcus multilocularis lamin 0.0028 0.0737 0.0651
Brugia malayi jmjC domain containing protein 0.0098 0.5064 0.5336
Entamoeba histolytica heat shock protein 90, putative 0.0047 0.1927 1
Trypanosoma brucei heat shock protein, putative 0.0047 0.1927 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.5064 0.5147
Plasmodium vivax heat shock protein 90, putative 0.0031 0.0956 0.0751
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0875 0.0899
Trichomonas vaginalis endoplasmin, putative 0.0034 0.1134 0.5349
Giardia lamblia Heat shock protein HSP 90-alpha 0.004 0.1509 0.755
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0716 0.2898
Entamoeba histolytica heat shock protein 90, putative 0.0047 0.1927 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0044 0.175 1
Trichomonas vaginalis heat shock protein, putative 0.0044 0.175 0.8958
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Brugia malayi Bromodomain containing protein 0.0032 0.1024 0.0885
Schistosoma mansoni intermediate filament proteins 0.0028 0.0737 0.0757
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.3034 0.3183
Trypanosoma brucei heat shock protein, putative 0.0047 0.1927 1
Trypanosoma cruzi heat shock protein 85, putative 0.004 0.1509 0.7831
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0031 0.0956 0.0878
Trypanosoma brucei heat shock protein, putative 0.0047 0.1927 1
Trypanosoma brucei Heat shock protein 83, putative 0.0047 0.1927 1
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0031 0.0956 0.0878
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3034 0.3117
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0875 0.0832
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0457 0.036
Echinococcus granulosus geminin 0.0173 0.9734 1
Giardia lamblia PHD finger protein 15 0.003 0.0875 0.383
Mycobacterium ulcerans heat shock protein 90 0.0044 0.175 1
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0875 0.0668
Trypanosoma cruzi heat shock protein 90, putative 0.002 0.0245 0.1273
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.6573 0.7036
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0053 0.2281 0.2255
Echinococcus granulosus GPCR family 2 0.0053 0.2281 0.2255
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0044 0.175 1
Trichomonas vaginalis heat shock protein, putative 0.0044 0.175 0.8958
Loa Loa (eye worm) hypothetical protein 0.0114 0.6049 0.6465
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0166 0.9295 1
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.2804 0.2798
Echinococcus multilocularis heat shock protein 0.0047 0.1927 0.1888
Trypanosoma brucei heat shock protein 84, putative 0.0031 0.0956 0.4961
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Schistosoma mansoni lamin 0.0028 0.0737 0.0757
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.1542 0.1487
Echinococcus multilocularis heat shock protein 90 0.0047 0.1927 0.1888
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.1383 0.1421
Brugia malayi hypothetical protein 0.0041 0.1542 0.1455
Plasmodium falciparum heat shock protein 90, putative 0.0027 0.0716 0.0506
Echinococcus granulosus zinc finger protein 0.002 0.027 0.0166
Schistosoma mansoni jumonji domain containing protein 0.0078 0.3824 0.3929
Trypanosoma brucei heat shock protein 90, putative 0.0047 0.1927 1
Echinococcus multilocularis endoplasmin 0.0044 0.175 0.1703
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Onchocerca volvulus Alhambra homolog 0.003 0.0875 0.6295
Toxoplasma gondii Hsp90 domain-containing protein 0.0177 1 1
Trichomonas vaginalis heat shock protein, putative 0.004 0.1509 0.755
Echinococcus granulosus jumonji domain containing protein 0.0041 0.1596 0.1543
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0457 0.036
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0044 0.175 0.9078
Schistosoma mansoni hypothetical protein 0.0173 0.9734 1
Schistosoma mansoni heat shock protein 0.0047 0.1927 0.198
Plasmodium vivax heat shock protein, putative 0.0177 1 1
Trypanosoma brucei heat shock protein, putative 0.0047 0.1927 1
Echinococcus granulosus lamin 0.0028 0.0737 0.0651
Trypanosoma cruzi Heat shock protein 83, putative 0.0047 0.1927 1
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.35 0.369
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0875 0.0794
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.1383 0.1421
Toxoplasma gondii heat shock protein HSP90 0.0047 0.1927 0.1744
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.1383 0.1385
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0222 0.1149
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Trypanosoma cruzi heat shock protein 90, putative 0.004 0.1509 0.7831
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0222 0.0115
Brugia malayi Bromodomain containing protein 0.0077 0.377 0.3911
Brugia malayi Hsp90 protein 0.0031 0.0956 0.081
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.1927 1
Brugia malayi PHD-finger family protein 0.003 0.0875 0.072
Schistosoma mansoni hypothetical protein 0.003 0.0875 0.0899
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0222 0.1149
Trypanosoma brucei heat shock protein, putative 0.0047 0.1927 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.1303 0.1239
Echinococcus multilocularis zinc finger protein 0.002 0.027 0.0166
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0222 0.0115
Schistosoma mansoni hypothetical protein 0.0021 0.0337 0.0346
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0337 0.0246
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0457 0.047
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Brugia malayi MH2 domain containing protein 0.0122 0.6573 0.6999
Loa Loa (eye worm) latrophilin receptor protein 2 0.0053 0.2281 0.2363
Plasmodium falciparum endoplasmin, putative 0.0034 0.1134 0.0933
Loa Loa (eye worm) hypothetical protein 0.0028 0.0737 0.0682
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3034 0.3117
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3034 0.3117
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.1927 1
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.1596 0.1543
Trypanosoma cruzi heat shock protein, putative 0.0031 0.0956 0.4961
Loa Loa (eye worm) TAR-binding protein 0.0065 0.3034 0.3183
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.6573 0.7036
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.1262 0.1197
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0737 0.0682
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.1303 0.1239
Schistosoma mansoni heat shock protein 0.0047 0.1927 0.198
Giardia lamblia Heat shock protein HSP 90-alpha 0.0047 0.1927 1
Echinococcus multilocularis GPCR, family 2 0.0053 0.2281 0.2255
Brugia malayi PHD-finger family protein 0.0025 0.0607 0.0425
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0031 0.0956 0.4307
Loa Loa (eye worm) endoplasmin 0.0047 0.1927 0.1978
Schistosoma mansoni hypothetical protein 0.0053 0.2281 0.2343
Echinococcus multilocularis geminin 0.0173 0.9734 1
Trypanosoma brucei heat shock protein, putative 0.0047 0.1927 1
Schistosoma mansoni endoplasmin 0.0047 0.1927 0.198
Schistosoma mansoni heat shock protein 0.0031 0.0956 0.0982
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0737 0.0568
Loa Loa (eye worm) hypothetical protein 0.0166 0.9295 1
Schistosoma mansoni lamin 0.0028 0.0737 0.0757
Trichomonas vaginalis heat shock protein, putative 0.0034 0.1134 0.5349
Echinococcus granulosus lamin dm0 0.0028 0.0737 0.0651
Echinococcus multilocularis peregrin 0.0032 0.1024 0.0949
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.2835 0.2966
Loa Loa (eye worm) heat shock protein 90 0.0047 0.1927 0.1978
Echinococcus multilocularis musashi 0.0028 0.0737 0.0651
Echinococcus granulosus heat shock protein 0.0047 0.1927 0.1888
Loa Loa (eye worm) hypothetical protein 0.003 0.0875 0.0832
Echinococcus multilocularis tar DNA binding protein 0.0065 0.3034 0.3038
Schistosoma mansoni bromodomain containing protein 0.0065 0.303 0.3113
Entamoeba histolytica hypothetical protein 0.0041 0.1542 0.774
Loa Loa (eye worm) hypothetical protein 0.0044 0.1727 0.176
Schistosoma mansoni hypothetical protein 0.0053 0.2281 0.2343
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.1383 0.1322
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0111 0.0114
Brugia malayi Bromodomain containing protein 0.0039 0.1452 0.1357
Loa Loa (eye worm) hypothetical protein 0.0027 0.0706 0.0648
Brugia malayi latrophilin 2 splice variant baaae 0.0114 0.6049 0.6422
Entamoeba histolytica hypothetical protein 0.0041 0.1542 0.774
Schistosoma mansoni hypothetical protein 0.0053 0.2281 0.2343
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0053 0.2281 0.2269
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Echinococcus granulosus heat shock protein 90 0.004 0.1509 0.1453
Brugia malayi heat shock protein 90 0.0047 0.1927 0.188
Echinococcus granulosus tar DNA binding protein 0.0065 0.3034 0.3038
Entamoeba histolytica hypothetical protein 0.0041 0.1542 0.774
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Echinococcus granulosus peregrin 0.0032 0.1024 0.0949
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Schistosoma mansoni endoplasmin 0.0047 0.1927 0.198
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0737 0.0682
Brugia malayi RNA binding protein 0.0065 0.3034 0.31
Brugia malayi Latrophilin receptor protein 2 0.0053 0.2281 0.2269
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0875 0.0794
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.1927 1
Trypanosoma brucei heat shock protein, putative 0.0047 0.1927 1
Echinococcus multilocularis heat shock protein 90 0.004 0.1509 0.1453
Plasmodium falciparum heat shock protein 90 0.0047 0.1927 0.1744
Treponema pallidum heat shock protein 90 0.0044 0.175 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0053 0.2281 0.2255
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.1542 0.1584
Echinococcus granulosus endoplasmin 0.0044 0.175 0.1703
Echinococcus multilocularis lamin dm0 0.0028 0.0737 0.0651
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.2804 0.2798
Toxoplasma gondii heat shock protein 75, putative 0.0031 0.0956 0.0751
Loa Loa (eye worm) hypothetical protein 0.0042 0.1606 0.1628
Loa Loa (eye worm) hypothetical protein 0.0053 0.2281 0.2363
Schistosoma mansoni zinc finger protein 0.002 0.027 0.0277
Trypanosoma cruzi heat shock protein 90, putative 0.0047 0.1927 1
Schistosoma mansoni ap endonuclease 0.0019 0.0222 0.0228
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0149 0.0042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0111 0.0114
Schistosoma mansoni hypothetical protein 0.0173 0.9734 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0222 0.1149
Loa Loa (eye worm) hypothetical protein 0.0039 0.1457 0.1466
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0111 0.0114
Leishmania major heat shock protein, putative 0.0031 0.0956 0.4961
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Brugia malayi TAR-binding protein 0.0065 0.3034 0.31
Echinococcus granulosus heat shock protein 90 0.0047 0.1927 0.1888
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0222 0.0121
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.1542 0.1487
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0875 0.0668
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3034 0.3117
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0053 0.2281 0.2255
Brugia malayi Endoplasmin precursor 0.0047 0.1927 0.188
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0053 0.2281 0.2255
Brugia malayi Calcitonin receptor-like protein seb-1 0.0166 0.9295 1
Schistosoma mansoni hypothetical protein 0.0041 0.1542 0.1584
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3034 0.3117
Trypanosoma brucei heat shock protein, putative 0.0047 0.1927 1
Leishmania major heat shock protein 83-1 0.0047 0.1927 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.5064 0.5147
Plasmodium vivax heat shock protein 86, putative 0.0047 0.1927 0.1744
Plasmodium vivax hypothetical protein, conserved 0.003 0.0875 0.0668
Toxoplasma gondii heat shock protein 90, putative 0.0047 0.1927 0.1744
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.004 0.1509 0.1453
Loa Loa (eye worm) hypothetical protein 0.0051 0.219 0.2264
Plasmodium falciparum phd finger protein, putative 0.003 0.0875 0.0668
Plasmodium vivax endoplasmin, putative 0.0047 0.1927 0.1744
Brugia malayi intermediate filament protein 0.0028 0.0737 0.0568
Schistosoma mansoni hypothetical protein 0.0114 0.6049 0.6214
Giardia lamblia Grp94/Hsp90 0.0044 0.175 0.8958
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0031 0.0956 1
Loa Loa (eye worm) RNA binding protein 0.0065 0.3034 0.3183
Brugia malayi jmjC domain containing protein 0.0038 0.1383 0.128

Activities

No activities found for this compound.

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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