Detailed information for compound 1659432

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 383.486 | Formula: C25H25N3O
  • H donors: 2 H acceptors: 1 LogP: 4.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H]1CCCN1Cc1cccc2c1cccc2)NCc1c[nH]c2c1cccc2
  • InChi: 1S/C25H25N3O/c29-25(27-16-20-15-26-23-12-4-3-11-22(20)23)24-13-6-14-28(24)17-19-9-5-8-18-7-1-2-10-21(18)19/h1-5,7-12,15,24,26H,6,13-14,16-17H2,(H,27,29)/t24-/m1/s1
  • InChiKey: CUWTVICBYHBSOX-XMMPIXPASA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 0.0086 0.0257 0.1802
Loa Loa (eye worm) hypoxia-induced factor 1 0.0146 0.1068 0.0832
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0137 0.0945 1
Brugia malayi Histone deacetylase family protein 0.0477 0.5526 0.5407
Trichomonas vaginalis glycogen debranching enzyme, putative 0.013 0.085 0.5957
Trichomonas vaginalis alpha-glucosidase, putative 0.0137 0.0945 0.6622
Loa Loa (eye worm) hypothetical protein 0.0477 0.5526 0.5407
Plasmodium falciparum histone deacetylase 2 0.0477 0.5526 0.5
Echinococcus granulosus neutral alpha glucosidase AB 0.0137 0.0945 0.0104
Echinococcus granulosus histone deacetylase 6 0.0477 0.5526 0.511
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.013 0.085 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0137 0.0945 0.6622
Schistosoma mansoni alpha-l-fucosidase 0.0394 0.4401 0.4511
Schistosoma mansoni hypothetical protein 0.0167 0.1349 0.11
Brugia malayi Alpha-L-fucosidase family protein 0.0394 0.4401 0.4254
Trichomonas vaginalis sucrase-isomaltase, putative 0.0137 0.0945 0.6622
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.0257 0.1802
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0137 0.0945 0.0706
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.0257 0.1802
Plasmodium vivax histone deacetylase 2, putative 0.0477 0.5526 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.081 1 1
Echinococcus granulosus histone deacetylase 7 0.0477 0.5526 0.511
Leishmania major alpha glucosidase II subunit, putative 0.0137 0.0945 0.1306
Brugia malayi Glycosyl hydrolases family 31 protein 0.0137 0.0945 0.0706
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.013 0.085 0.0609
Brugia malayi Histone deacetylase family protein 0.0477 0.5526 0.5407
Echinococcus multilocularis neutral alpha glucosidase AB 0.0137 0.0945 0.0104
Onchocerca volvulus 0.06 0.7178 1
Loa Loa (eye worm) hypothetical protein 0.0477 0.5526 0.5407
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0173 0.1428 1
Schistosoma mansoni alpha-glucosidase 0.0758 0.9312 1
Trypanosoma cruzi histone deacetylase, putative 0.0477 0.5526 1
Trypanosoma brucei glucosidase, putative 0.0137 0.0945 0.1306
Plasmodium vivax histone deacetylase, putative 0.0477 0.5526 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0137 0.0945 0.1306
Loa Loa (eye worm) histone deacetylase 7A 0.0477 0.5526 0.5407
Schistosoma mansoni alpha glucosidase 0.0137 0.0945 0.0648
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0137 0.0945 0.6622
Loa Loa (eye worm) hypothetical protein 0.0158 0.1233 0.1001
Schistosoma mansoni histone deacetylase 4 5 0.0477 0.5526 0.5768
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0137 0.0945 0.0203
Trichomonas vaginalis alpha-glucosidase, putative 0.0137 0.0945 0.6622
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0137 0.0945 0.6622
Trichomonas vaginalis maltase-glucoamylase, putative 0.0137 0.0945 0.6622
Schistosoma mansoni alpha-glucosidase 0.0758 0.9312 1
Echinococcus granulosus histone deacetylase 6 0.0477 0.5526 0.511
Entamoeba histolytica glycogen debranching enzyme, putative 0.013 0.085 0.8622
Trichomonas vaginalis alpha-glucosidase, putative 0.0137 0.0945 0.6622
Trichomonas vaginalis maltase-glucoamylase, putative 0.0086 0.0257 0.1802
Brugia malayi hypothetical protein 0.0158 0.1233 0.1001
Trypanosoma brucei histone deacetylase 4 0.0477 0.5526 1
Echinococcus granulosus histone deacetylase 0.0477 0.5526 0.511
Echinococcus multilocularis histone deacetylase 7 0.0477 0.5526 0.511
Schistosoma mansoni histone deacetylase 4 5 0.0477 0.5526 0.5768
Toxoplasma gondii histone deacetylase HDAC1 0.0477 0.5526 1
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0394 0.4401 0.3881
Trypanosoma cruzi histone deacetylase, putative 0.0477 0.5526 1
Trypanosoma cruzi hypothetical protein, conserved 0.0137 0.0945 0.1306
Echinococcus multilocularis histone deacetylase 6 0.0477 0.5526 0.511
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.0257 0.1802
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.081 1 1
Loa Loa (eye worm) hypothetical protein 0.013 0.085 0.0609
Loa Loa (eye worm) histone deacetylase 0.0477 0.5526 0.5407
Brugia malayi hypoxia-induced factor 1 0.0146 0.1068 0.0832
Schistosoma mansoni histone deacetylase hda2 0.0477 0.5526 0.5768
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0086 0.0257 0.1802
Trichomonas vaginalis alpha-glucosidase, putative 0.0137 0.0945 0.6622
Echinococcus multilocularis histone deacetylase 0.0477 0.5526 0.511
Echinococcus multilocularis lysosomal alpha glucosidase 0.081 1 1
Leishmania major histone deacetylase, putative 0.0477 0.5526 1
Plasmodium falciparum histone deacetylase, putative 0.0477 0.5526 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0086 0.0257 0.1802
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0394 0.4401 0.3881
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0086 0.0257 0.1802
Loa Loa (eye worm) alpha-L-fucosidase 0.0394 0.4401 0.4254
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0137 0.0945 1
Trypanosoma brucei histone deacetylase 3 0.0477 0.5526 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0173 0.1428 1
Trypanosoma brucei histone deacetylase, putative 0.0477 0.5526 1
Echinococcus granulosus lysosomal alpha glucosidase 0.081 1 1
Echinococcus granulosus histone deacetylase 6 0.0477 0.5526 0.511
Trypanosoma cruzi histone deacetylase, putative 0.0477 0.5526 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.013 0.085 0.5957
Mycobacterium ulcerans alpha-L-fucosidase 0.0394 0.4401 0.5
Leishmania major histone deacetylase, putative 0.0477 0.5526 1
Echinococcus multilocularis histone deacetylase 6 0.0477 0.5526 0.511
Echinococcus multilocularis histone deacetylase 6 0.0477 0.5526 0.511

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) uM Tested for its binding affinity in competition with [125I]-NDP-MSH on recombinant Melanocortin 5 receptor; nb = no binding ChEMBL. 11909712
Ki (binding) = 36 uM Binding affinity in competition with [125I]-NDP-MSH on recombinant melanocortin 4 receptor ChEMBL. 11909712
Ki (binding) = 45 uM Binding affinity in competition with [125I]-NDP-MSH on recombinant melanocortin 1 receptor ChEMBL. 11909712
Ki (binding) = 104 uM Binding affinity in competition with [125I]-NDP-MSH on recombinant melanocortin 3 receptor ChEMBL. 11909712

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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