Detailed information for compound 1152961

Basic information

Technical information
  • TDR Targets ID: 1152961
  • Name: [3-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphth alen-2-yl)amino]-2,2-dimethylpropyl] 3,4-dime thoxybenzoate
  • MW: 455.586 | Formula: C27H37NO5
  • H donors: 0 H acceptors: 1 LogP: 5.7 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)CCC(C2)N(CC(COC(=O)c1ccc(c(c1)OC)OC)(C)C)CC
  • InChi: 1S/C27H37NO5/c1-7-28(22-11-8-20-15-23(30-4)12-9-19(20)14-22)17-27(2,3)18-33-26(29)21-10-13-24(31-5)25(16-21)32-6/h9-10,12-13,15-16,22H,7-8,11,14,17-18H2,1-6H3
  • InChiKey: YMJMYCFMXCUQDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-[ethyl-(6-methoxytetralin-2-yl)amino]-2,2-dimethyl-propyl] 3,4-dimethoxybenzoate
  • 3,4-dimethoxybenzoic acid [3-[ethyl-(6-methoxy-2-tetralinyl)amino]-2,2-dimethylpropyl] ester
  • 3,4-dimethoxybenzoic acid [3-[ethyl-(6-methoxytetralin-2-yl)amino]-2,2-dimethyl-propyl] ester
  • [3-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethyl-propyl] 3,4-dimethoxybenzoate

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

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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