Detailed information for compound 1676350

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-/m0/s1
  • InChiKey: CUWTVICBYHBSOX-DEOSSOPVSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-4 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma congolense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium vivax tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin, beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium berghei tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Theileria parva tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-1 tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi beta-tubulin, identical Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-4 chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium falciparum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-2A chain Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Babesia bovis tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin alpha chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-7 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin gamma chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium hominis beta-catenin-like repeat protein Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium yoelii tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi Tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium parvum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma cruzi beta tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611

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

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) = 8.9 uM Binding affinity in competition with [125I]-NDP-MSH on recombinant melanocortin 1 receptor ChEMBL. 11909712
Ki (binding) = 26 uM Binding affinity in competition with [125I]-NDP-MSH on recombinant melanocortin 4 receptor ChEMBL. 11909712
Ki (binding) = 68 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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