Detailed information for compound 277556

Basic information

Technical information
  • TDR Targets ID: 277556
  • Name: 5,8-dimethoxy-6-methyl-1,2,3,4-tetrahydronaph thalen-2-amine
  • MW: 221.295 | Formula: C13H19NO2
  • H donors: 1 H acceptors: 0 LogP: 2.01 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C)c(c2c1CC(N)CC2)OC
  • InChi: 1S/C13H19NO2/c1-8-6-12(15-2)11-7-9(14)4-5-10(11)13(8)16-3/h6,9H,4-5,7,14H2,1-3H3
  • InChiKey: CEHNNXHZTWZRJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5,8-dimethoxy-6-methyl-tetralin-2-amine
  • 5,8-dimethoxy-6-methyl-2-tetralinamine
  • (5,8-dimethoxy-6-methyl-tetralin-2-yl)amine
  • 2-amino-5,8-dimethoxy-6-methyl-1,2,3,4-tetrahydronaphthalene
  • 53609-01-1
  • 1,2,3,4-Tetrahydro-5,8-dimethoxy-6-methyl-2-naphthalenamine
  • 2-Naphthalenamine, 1,2,3,4-tetrahydro-5,8-dimethoxy-6-methyl-

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
Loa Loa (eye worm) hypothetical protein 0.0875 0.4669 0.4082
Loa Loa (eye worm) hypothetical protein 0.027 0.1118 0.014
Schistosoma mansoni integrin alpha 0.1157 0.6323 1
Echinococcus granulosus integrin alpha ps 0.0519 0.2577 0.5439
Schistosoma mansoni integrin alpha-ps 0.027 0.1118 0.0236
Brugia malayi Integrin alpha pat-2 precursor 0.1157 0.6323 1
Loa Loa (eye worm) hypothetical protein 0.0908 0.4864 0.4298
Loa Loa (eye worm) hypothetical protein 0.0638 0.3279 0.2539
Echinococcus granulosus integrin alpha 3 0.0887 0.4738 1
Echinococcus multilocularis integrin alpha ps 0.0519 0.2577 0.5439
Echinococcus multilocularis integrin alpha ps 0.0249 0.0992 0.2094
Echinococcus multilocularis integrin alpha ps 0.0519 0.2577 0.5439
Echinococcus multilocularis integrin alpha 3 0.0887 0.4738 1
Echinococcus granulosus integrin alpha ps 0.0249 0.0992 0.2094
Schistosoma mansoni integrin alpha-ps 0.0519 0.2577 0.2973

Activities

Activity type Activity value Assay description Source Reference
D (functional) = 20 % Hallucinogenic property was determined in groups of LSD trained rats and percentage of animals disrupted was reported at a dose 3.88(micromol/kg),(number of animals = 10) ChEMBL. 1967651
D (functional) = 20 % Percentage of animals disrupted was determined in groups of MDMA trained rats at a dose 1.94(micromol/kg),(no of animals=10) ChEMBL. 1967651
D (functional) = 27 % Hallucinogenic property was determined in groups of LSD trained rats and percentage of animals disrupted was reported at 5.82(micromol/kg),(number of animals = 11) ChEMBL. 1967651
D (functional) = 27 % Hallucinogenic property was determined in groups of MDMA trained rats and percentage of animals disrupted was reported at a dose 3.88(micromol/kg),(number of animals = 11) ChEMBL. 1967651
D (functional) = 27 % Hallucinogenic property was determined in groups of MDMA trained rats and percentage of animals disrupted was reported at a dose 7.76 (micromol/kg),(number of animals = 11) ChEMBL. 1967651
D (functional) = 47 % Hallucinogenic property was determined in groups of LSD trained rats and percentage of animals disrupted was reported at a dose 7.77(micromol/kg),(number of animals = 15) ChEMBL. 1967651
D (functional) = 69 % Hallucinogenic property was determined in groups of LSD trained rats and percentage of animals disrupted was reported at a dose 9.70(micromol/kg),(number of animals = 13) ChEMBL. 1967651
D (functional) = 83 % Hallucinogenic property was determined in groups of MDMA trained rats and percentage of animals disrupted was reported at a dose 11.64(micromol/kg),(number of animals = 6) ChEMBL. 1967651
D (functional) = 100 % Percentage of animals disrupted was determined in groups of LSD trained rats at a dose of 10.67(micromol/kg),(no of animals = 5) ChEMBL. 1967651
Incidence (functional) = 0 Compound was evaluated for the incidence of serotonin syndrome in the rat stomach fundus preparation by intraperitoneal administration at the dose 2 mg/kg; 0/3 ChEMBL. 7277398
Incidence (functional) = 0 Compound was evaluated for the incidence of serotonin syndrome in the rat stomach fundus preparation by intraperitoneal administration at the dose 4 mg/kg; 0/8 ChEMBL. 7277398
Incidence (functional) = 3 Compound was evaluated for the incidence of serotonin syndrome in the rat stomach fundus preparation by intraperitoneal administration at the dose 8 mg/kg; 3/8 ChEMBL. 7277398
Incidence (functional) = 3 Compound was evaluated for the incidence of serotonin syndrome in the rat stomach fundus preparation by intraperitoneal administration at the dose 16 mg/kg; 3/3 ChEMBL. 7277398
SDL (functional) = 0 % Tested for stimulus generation in rats trained to discriminate LSD from saline at a dose 9.70(micromol/kg),(number of animals = 13) ChEMBL. 1967651
SDL (functional) = 13 % Tested for stimulus generation in rats trained to discriminate LSD from saline at a dose 7.77(micromol/kg),(number of animals = 15) ChEMBL. 1967651
SDL (functional) = 25 % Tested for stimulus generation in rats trained to discriminate LSD from saline at a dose 3.88(micromol/kg),(number of animals = 10) ChEMBL. 1967651
SDL (functional) = 38 % Tested for stimulus generation in rats trained to discriminate LSD from saline at a dose 5.82(micromol/kg),(number of animals = 11) ChEMBL. 1967651
SDL (functional) = 38 % Tested for stimulus generation in rats trained to discriminate +/-MDMA from saline at 1.94(micromol/kg),(number of animals = 10) ChEMBL. 1967651
SDL (functional) = 38 % Tested for stimulus generation in rats trained to discriminate +/-MDMA from saline at 7.76 (micromol/kg),(number of animals = 11) ChEMBL. 1967651
SDL (functional) = 50 % Tested for stimulus generation in rats trained to discriminate +/-MDMA from saline at3.88(micromol/kg),(number of animals = 11) ChEMBL. 1967651

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

2 literature references were collected for this gene.

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