Detailed information for compound 103679

Basic information

Technical information
  • TDR Targets ID: 103679
  • Name: 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl amino]-2,2,5,7-tetramethyl-1,3-dihydroinden-4 -ol
  • MW: 423.591 | Formula: C26H37N3O2
  • H donors: 2 H acceptors: 1 LogP: 4.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)N1CCN(CC1)CCNC1c2c(O)c(C)cc(c2CC1(C)C)C
  • InChi: 1S/C26H37N3O2/c1-18-15-19(2)24(30)23-22(18)17-26(3,4)25(23)27-9-10-28-11-13-29(14-12-28)20-7-6-8-21(16-20)31-5/h6-8,15-16,25,27,30H,9-14,17H2,1-5H3
  • InChiKey: MYXPFOZXXSLETO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethylamino]-2,2,5,7-tetramethyl-indan-4-ol
  • 3-[2-[4-(3-methoxyphenyl)-1-piperazinyl]ethylamino]-2,2,5,7-tetramethyl-4-indanol
  • 3-[2-[4-(3-methoxyphenyl)piperazino]ethylamino]-2,2,5,7-tetramethyl-indan-4-ol

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
Trichomonas vaginalis alpha-glucosidase, putative 0.0185 0.0478 0.2498
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0794 0.5829 0.58
Brugia malayi Glycosyl hydrolases family 31 protein 0.0185 0.0478 0.0478
Echinococcus multilocularis lysosomal alpha glucosidase 0.1269 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0185 0.0478 0.2498
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0185 0.0478 0.2498
Leishmania major alpha glucosidase II subunit, putative 0.0185 0.0478 1
Trypanosoma cruzi hypothetical protein, conserved 0.0185 0.0478 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0185 0.0478 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0185 0.0478 0.0412
Schistosoma mansoni alpha-l-fucosidase 0.0794 0.5829 0.5944
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0185 0.0478 1
Schistosoma mansoni alpha-glucosidase 0.1215 0.9522 1
Loa Loa (eye worm) alpha-L-fucosidase 0.0794 0.5829 0.5829
Brugia malayi Alpha-L-fucosidase family protein 0.0794 0.5829 0.5829
Trichomonas vaginalis alpha-glucosidase, putative 0.0185 0.0478 0.2498
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0794 0.5829 0.58
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1269 1 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0185 0.0478 1
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0138 0.0069 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0185 0.0478 0.2498
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0138 0.0069 0.0363
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0138 0.0069 0.0069
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0185 0.0478 0.0478
Schistosoma mansoni alpha-glucosidase 0.1215 0.9522 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0138 0.0069 0.0363
Loa Loa (eye worm) hypothetical protein 0.0138 0.0069 0.0069
Onchocerca volvulus 0.0913 0.6867 1
Entamoeba histolytica glycogen debranching enzyme, putative 0.0138 0.0069 0.1452
Echinococcus multilocularis lysosomal alpha glucosidase 0.1269 1 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0348 0.1915 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0185 0.0478 0.0412
Trichomonas vaginalis alpha-glucosidase, putative 0.0185 0.0478 0.2498
Trichomonas vaginalis maltase-glucoamylase, putative 0.0185 0.0478 0.2498
Trypanosoma cruzi hypothetical protein, conserved 0.0185 0.0478 1
Mycobacterium ulcerans alpha-L-fucosidase 0.0794 0.5829 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.1269 1 1
Trypanosoma brucei glucosidase, putative 0.0185 0.0478 1
Schistosoma mansoni alpha glucosidase 0.0185 0.0478 0.0068
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0185 0.0478 0.2498
Trichomonas vaginalis sucrase-isomaltase, putative 0.0185 0.0478 0.2498
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0348 0.1915 1

Activities

Activity type Activity value Assay description Source Reference
RRT (functional) = 110 s Time of recovery of righting reflux (RRT) in seconds was measured after oral administration of 30 mg/kg in mice for the promotional effect on recovery from coma. ChEMBL. 1676757
RRT (functional) = 110 s Time of recovery of righting reflux (RRT) in seconds was measured after oral administration of 30 mg/kg in mice for the promotional effect on recovery from coma. ChEMBL. 1676757
SMT (functional) = 112.1 s Spontaneous movement (SMT) in seconds, was measured after oral administration of 30 mg/kg in mice to test for promoting effects on recovery from coma. ChEMBL. 1676757
SMT (functional) = 112.1 s Spontaneous movement (SMT) in seconds, was measured after oral administration of 30 mg/kg in mice to test for promoting effects on recovery from coma. ChEMBL. 1676757
SVT (functional) = 120.8 % Antihypoxic effect tested by the ratio of survival time (SVT) of test mice to that of control group, dosed intraperitoneally at 30 mg/kg ChEMBL. 1676757
SVT (functional) = 120.8 % Antihypoxic effect tested by the ratio of survival time (SVT) of test mice to that of control group, dosed intraperitoneally at 30 mg/kg ChEMBL. 1676757

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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