Detailed information for compound 1167643

Basic information

Technical information
  • TDR Targets ID: 1167643
  • Name: 3-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphtha len-2-yl)amino]propyl 3,4-dimethoxybenzoate
  • MW: 427.533 | Formula: C25H33NO5
  • H donors: 0 H acceptors: 1 LogP: 4.86 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)CCC(C2)N(CCCOC(=O)c1ccc(c(c1)OC)OC)CC
  • InChi: 1S/C25H33NO5/c1-5-26(21-10-7-19-16-22(28-2)11-8-18(19)15-21)13-6-14-31-25(27)20-9-12-23(29-3)24(17-20)30-4/h8-9,11-12,16-17,21H,5-7,10,13-15H2,1-4H3
  • InChiKey: BQVMKOAOFHPSKL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[ethyl-(6-methoxytetralin-2-yl)amino]propyl 3,4-dimethoxybenzoate
  • 3,4-dimethoxybenzoic acid 3-[ethyl-(6-methoxy-2-tetralinyl)amino]propyl ester
  • 3,4-dimethoxybenzoic acid 3-[ethyl-(6-methoxytetralin-2-yl)amino]propyl ester

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 Probable DNA topoisomerase II 0.0139 0.1665 0.3419
Loa Loa (eye worm) hypothetical protein 0.0036 0.0221 0.0454
Schistosoma mansoni smad 0.0025 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0086 0.0924 0.1897
Brugia malayi hypothetical protein 0.0077 0.0801 0.1644
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0665 0.1028
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0084 0.089 0.089
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0253 0.3275 0.3275
Loa Loa (eye worm) beta-lactamase 0.0036 0.0221 0.0454
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0665 0.1028
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0448 0.0448
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0665 0.1028
Schistosoma mansoni hypothetical protein 0.0181 0.2255 0.2255
Brugia malayi DNA topoisomerase III beta-1 0.0042 0.0311 0.0639
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0404 0.0404
Echinococcus granulosus intermediate filament protein 0.0088 0.0946 0.0946
Brugia malayi Latrophilin receptor protein 2 0.0084 0.089 0.1828
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0404 0.0404
Echinococcus multilocularis Smad4 0.0025 0.0065 0.0065
Onchocerca volvulus 0.0088 0.0946 0.5684
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0404 0.0829
Loa Loa (eye worm) hypothetical protein 0.0096 0.1068 0.2193
Schistosoma mansoni intermediate filament proteins 0.0088 0.0946 0.0946
Echinococcus granulosus lamin dm0 0.0088 0.0946 0.0946
Plasmodium vivax DNA gyrase subunit B, putative 0.0593 0.8062 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0042 0.0309 0.0634
Trypanosoma cruzi DNA topoisomerase III, putative 0.0042 0.0311 0.0208
Brugia malayi beta-lactamase 0.0036 0.0221 0.0454
Brugia malayi GRF zinc finger family protein 0.0042 0.0311 0.0639
Echinococcus multilocularis microtubule associated protein 2 0.0731 1 1
Brugia malayi DNA topoisomerase III 0.0042 0.0311 0.0639
Leishmania major DNA topoisomerase ii 0.0096 0.1068 0.1962
Schistosoma mansoni thyroid hormone receptor 0.0273 0.356 0.356
Loa Loa (eye worm) TOPoisomerase family member 0.0139 0.1665 0.3419
Schistosoma mansoni thyroid hormone receptor 0.0273 0.356 0.356
Trypanosoma cruzi DNA topoisomerase III, putative 0.0042 0.0311 0.0208
Schistosoma mansoni lamin 0.0088 0.0946 0.0946
Toxoplasma gondii DNA topoisomerase 2, putative 0.0139 0.1665 0.3344
Schistosoma mansoni lamin 0.0088 0.0946 0.0946
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0343 0.4539 1
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0042 0.0311 0.0311
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0139 0.1665 1
Onchocerca volvulus 0.0036 0.0221 0.1328
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0139 0.1665 1
Brugia malayi Intermediate filament tail domain containing protein 0.0088 0.0946 0.1943
Echinococcus multilocularis thyroid hormone receptor alpha 0.0273 0.356 0.356
Chlamydia trachomatis DNA gyrase subunit B 0.0389 0.5188 0.6292
Schistosoma mansoni hypothetical protein 0.0253 0.3275 0.3275
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0065 0.0134
Mycobacterium ulcerans DNA topoisomerase I 0.0042 0.0311 0.0115
Loa Loa (eye worm) hypothetical protein 0.0041 0.0286 0.0588
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0343 0.4539 1
Trypanosoma brucei DNA topoisomerase ii 0.0343 0.4539 1
Entamoeba histolytica hypothetical protein 0.0077 0.0801 0.3618
Loa Loa (eye worm) DNA topoisomerase III 0.0042 0.0311 0.0639
Brugia malayi cytoplasmic intermediate filament protein 0.0047 0.0374 0.0769
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0139 0.1665 1
Schistosoma mansoni hypothetical protein 0.0084 0.089 0.089
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0065 0.0134
Brugia malayi beta-lactamase family protein 0.0036 0.0221 0.0454
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0404 0.0404
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0221 0.0221
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.0462 0.0557
Brugia malayi Calcitonin receptor-like protein seb-1 0.0264 0.3431 0.7044
Schistosoma mansoni smad1 5 8 and 0.0025 0.0065 0.0065
Trypanosoma brucei DNA topoisomerase IA, putative 0.0042 0.0311 0.0208
Leishmania major DNA topoisomerase III, putative 0.0042 0.0311 0.0208
Giardia lamblia DNA topoisomerase II 0.012 0.1403 1
Brugia malayi Smad1 0.0025 0.0065 0.0134
Schistosoma mansoni smad1 5 8 and 0.0025 0.0065 0.0065
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0801 0.0801
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0665 0.1028
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0593 0.8062 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0448 0.092
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0042 0.0311 0.0311
Leishmania major mitochondrial DNA topoisomerase II 0.0343 0.4539 1
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0042 0.0311 0.0311
Mycobacterium ulcerans DNA gyrase subunit B 0.0593 0.8062 1
Echinococcus multilocularis lamin 0.0088 0.0946 0.0946
Loa Loa (eye worm) hypothetical protein 0.0041 0.0286 0.0588
Schistosoma mansoni microtubule-associated protein tau 0.0731 1 1
Plasmodium falciparum DNA gyrase subunit B 0.0593 0.8062 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0062 0.0583 0.0837
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0042 0.0311 0.0311
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0065 0.0065
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0084 0.089 0.089
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0221 0.0221
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.2953 0.3484
Onchocerca volvulus 0.0088 0.0946 0.5684
Trypanosoma brucei DNA topoisomerase III, putative 0.0042 0.0311 0.0208
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0139 0.1665 0.3419
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0264 0.3431 0.7044
Loa Loa (eye worm) hypothetical protein 0.0181 0.2255 0.463
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0084 0.089 0.089
Chlamydia trachomatis DNA gyrase subunit B 0.0593 0.8062 1
Echinococcus multilocularis GPCR, family 2 0.0084 0.089 0.089
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0139 0.1665 0.1665
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0139 0.1665 0.1665
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0593 0.8062 1
Echinococcus multilocularis musashi 0.0088 0.0946 0.0946
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.0665 0.1028
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0065 0.0065
Echinococcus granulosus lamin 0.0088 0.0946 0.0946
Trypanosoma cruzi DNA topoisomerase II, putative 0.0096 0.1068 0.1962
Toxoplasma gondii DNA topoisomerase family protein 0.0042 0.0311 0.0208
Brugia malayi MH2 domain containing protein 0.0025 0.0065 0.0134
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0221 0.0454
Loa Loa (eye worm) hypothetical protein 0.0036 0.0221 0.0454
Brugia malayi MH2 domain containing protein 0.0025 0.0065 0.0134
Schistosoma mansoni Smad4 0.0025 0.0065 0.0065
Leishmania major DNA topoisomerase 1A 0.0042 0.0311 0.0208
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0665 0.1028
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0221 0.0221
Loa Loa (eye worm) transcription factor SMAD2 0.0367 0.487 1
Entamoeba histolytica hypothetical protein 0.0077 0.0801 0.3618
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0084 0.089 0.1828
Schistosoma mansoni hypothetical protein 0.0084 0.089 0.089
Schistosoma mansoni smad1 5 8 and 0.0025 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0036 0.0221 0.0454
Echinococcus multilocularis lamin dm0 0.0088 0.0946 0.0946
Echinococcus multilocularis smad 0.0025 0.0065 0.0065
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0204 0.2588 1
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.0665 0.1028
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0801 0.0801
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0264 0.3431 0.7044
Echinococcus granulosus tumor protein p63 0.0356 0.4727 0.4727
Schistosoma mansoni hypothetical protein 0.0077 0.0801 0.0801
Loa Loa (eye worm) hypothetical protein 0.0036 0.0221 0.0454
Loa Loa (eye worm) MH2 domain-containing protein 0.0367 0.487 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0404 0.0829
Echinococcus granulosus Smad4 0.0025 0.0065 0.0065
Entamoeba histolytica hypothetical protein 0.0077 0.0801 0.3618
Plasmodium vivax DNA topoisomerase II, putative 0.0139 0.1665 0.1841
Onchocerca volvulus 0.0036 0.0221 0.1328
Schistosoma mansoni hypothetical protein 0.0084 0.089 0.089
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0665 0.1028
Entamoeba histolytica DNA topoisomerase II, putative 0.0139 0.1665 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0665 0.1028
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0042 0.0311 0.0208
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0404 0.0404
Onchocerca volvulus 0.0042 0.0311 0.1868
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0042 0.0311 0.0622
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0042 0.0311 0.0379
Schistosoma mansoni hypothetical protein 0.0084 0.089 0.089
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0264 0.3431 0.7044
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0096 0.1068 0.1962
Echinococcus granulosus GPCR family 2 0.0084 0.089 0.089
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0036 0.0221 0.0454
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0665 0.1028
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0042 0.0309 0.0309
Onchocerca volvulus 0.0052 0.0448 0.269
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.0665 0.1028
Brugia malayi MH2 domain containing protein 0.0367 0.487 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0047 0.0374 0.0769
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0042 0.0311 0.0208
Entamoeba histolytica hypothetical protein 0.0077 0.0801 0.3618
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0042 0.0311 0.0622
Loa Loa (eye worm) latrophilin receptor protein 2 0.0084 0.089 0.1828
Trypanosoma cruzi cruzipain precursor, putative 0.0068 0.0665 0.1028
Trichomonas vaginalis DNA topoisomerase II, putative 0.0139 0.1665 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0065 0.0065
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0088 0.0946 0.1943
Leishmania major DNA topoisomerase III, putative 0.0042 0.0311 0.0208
Leishmania major cathepsin L-like protease 0.0068 0.0665 0.1028
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0042 0.0311 0.0311
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0084 0.089 0.089
Plasmodium vivax DNA topoisomerase 3, putative 0.0042 0.0311 0.0115
Brugia malayi latrophilin 2 splice variant baaae 0.0181 0.2255 0.463
Brugia malayi MH1 domain containing protein 0.0025 0.0065 0.0134
Echinococcus granulosus smad 0.0025 0.0065 0.0065
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0139 0.1665 0.3419
Loa Loa (eye worm) hypothetical protein 0.0096 0.1068 0.2193
Loa Loa (eye worm) intermediate filament protein 0.0088 0.0946 0.1943
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0593 0.8062 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0665 0.1028
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0065 0.0065
Leishmania major cathepsin L-like protease 0.0068 0.0665 0.1028
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0343 0.4539 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0042 0.0309 0.0309
Trypanosoma cruzi DNA topoisomerase II, putative 0.0096 0.1068 0.1962
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0221 0.0454
Echinococcus multilocularis tumor protein p63 0.0356 0.4727 0.4727
Trypanosoma cruzi DNA topoisomerase III, putative 0.0042 0.0311 0.0208
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0665 0.1028
Plasmodium falciparum DNA topoisomerase 2 0.0139 0.1665 0.1747
Brugia malayi MH1 domain containing protein 0.0025 0.0065 0.0134
Onchocerca volvulus 0.0036 0.0221 0.1328
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0253 0.3275 0.3275
Leishmania major cathepsin L-like protease 0.0068 0.0665 0.1028
Loa Loa (eye worm) Smad1 0.0025 0.0065 0.0134
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0096 0.1068 0.1962
Trypanosoma brucei DNA topoisomerase III, putative 0.0042 0.0311 0.0208
Loa Loa (eye worm) hypothetical protein 0.0088 0.0946 0.1943
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0221 0.0221
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0404 0.0404
Echinococcus multilocularis rho GTPase activating protein 20 0.0042 0.0311 0.0311
Brugia malayi intermediate filament protein 0.0088 0.0946 0.1943
Loa Loa (eye worm) hypothetical protein 0.0036 0.0221 0.0454
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0665 0.1028
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0042 0.0311 0.0208
Loa Loa (eye worm) hypothetical protein 0.0084 0.089 0.1828
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0801 0.0801
Schistosoma mansoni DNA topoisomerase II 0.0139 0.1665 0.1665
Brugia malayi beta-lactamase family protein 0.0036 0.0221 0.0454
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0042 0.0311 0.0639

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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