Detailed information for compound 951938

Basic information

Technical information
  • TDR Targets ID: 951938
  • Name: (1S,3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1 -yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetra hydroisoquinoline
  • MW: 421.529 | Formula: C26H31NO4
  • H donors: 1 H acceptors: 0 LogP: 5.28 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)c2c(c1c1ccc(c3c1cc(C)cc3OC)OC)C[C@@H](N[C@H]2C)C
  • InChi: 1S/C26H31NO4/c1-14-10-18-17(8-9-20(28-4)26(18)21(11-14)29-5)25-19-12-15(2)27-16(3)24(19)22(30-6)13-23(25)31-7/h8-11,13,15-16,27H,12H2,1-7H3/t15-,16-/m0/s1
  • InChiKey: DVVAMMKTYAWPGW-HOTGVXAUSA-N  

Network

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Synonyms

  • (1S,3S)-5-(4,5-dimethoxy-7-methyl-1-naphthyl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
  • (1S,3S)-5-(4,5-dimethoxy-7-methyl-naphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

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
Giardia lamblia Dynamin 0.00578919 0.811199 0.5
Plasmodium falciparum dynamin-like protein 0.00578919 0.811199 0.5
Trichomonas vaginalis dynamin, putative 0.00578919 0.811199 0.5
Trichomonas vaginalis dynamin, putative 0.00578919 0.811199 0.5
Trichomonas vaginalis interferon-induced GTP-binding protein mx, putative 0.00578919 0.811199 0.5
Trichomonas vaginalis dynamin, putative 0.00578919 0.811199 0.5
Plasmodium falciparum dynamin-like protein 0.00578919 0.811199 0.5
Schistosoma mansoni dynamin 0.00623214 1 1
Brugia malayi Dynamin 0.00623214 1 1
Loa Loa (eye worm) hypothetical protein 0.00623214 1 1
Toxoplasma gondii dynamin-related protein DRPA 0.00578919 0.811199 1
Trypanosoma cruzi dynamin-1-like protein 0.00578919 0.811199 0.5
Entamoeba histolytica dynamin-like protein 0.00578919 0.811199 0.5
Plasmodium vivax dynamin-like protein, putative 0.00578919 0.811199 0.5
Toxoplasma gondii dynamin-related protein DRPB 0.00578919 0.811199 1
Leishmania major GTP-binding protein, putative 0.00578919 0.811199 0.5
Echinococcus granulosus dynamin 1 0.00623214 1 1
Trichomonas vaginalis dynamin, putative 0.00578919 0.811199 0.5
Echinococcus multilocularis dynamin 1 0.00623214 1 1
Entamoeba histolytica dynamin-1-like protein, putative 0.00578919 0.811199 0.5
Trypanosoma brucei dynamin-1-like protein 0.00578919 0.811199 0.5
Plasmodium vivax dynamin protein, putative 0.00578919 0.811199 0.5
Trichomonas vaginalis dynamin, putative 0.00578919 0.811199 0.5
Trichomonas vaginalis mgm1, putative 0.00578919 0.811199 0.5
Brugia malayi Dynamin 0.00623214 1 1
Trypanosoma brucei dynamin-1-like protein 0.00578919 0.811199 0.5
Schistosoma mansoni dynamin 0.00623214 1 1
Trichomonas vaginalis dynamin, putative 0.00578919 0.811199 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.1 ug ml-1 Antitrypanosomal activity against Trypanosoma brucei rhodesiense ChEMBL. 14510589
IC50 (functional) > 10 ug ml-1 Antileishmanial activity against Leishmania donovani ChEMBL. 14510589
IC50 (functional) = 14 ug ml-1 Antimalarial activity against Plasmodium falciparum 3D7 ChEMBL. 14510589
IC50 (functional) = 17.8 ug ml-1 Antitrypanosomal activity against Trypanosoma cruzi ChEMBL. 14510589

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 14510589
Leishmania donovani ChEMBL23 14510589
Trypanosoma brucei gambiense 14510589

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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