Detailed information for compound 1759750

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.542 | Formula: C23H34N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.62 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCN1C[C@@H](O)[C@@H](C[C@@H]1c1ccc(cc1)OC)n1nnc(c1)C1CC1
  • InChi: 1S/C23H34N4O2/c1-3-4-5-6-13-26-16-23(28)22(27-15-20(24-25-27)17-7-8-17)14-21(26)18-9-11-19(29-2)12-10-18/h9-12,15,17,21-23,28H,3-8,13-14,16H2,1-2H3/t21-,22-,23-/m1/s1
  • InChiKey: ZAUXEZACOUTYCB-DNVJHFABSA-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
Giardia lamblia Beta tubulin 0.0187 1 0.5
Onchocerca volvulus Putative nachr subunit 0.0174 0.9095 1
Schistosoma mansoni tubulin subunit beta 0.0187 1 1
Plasmodium vivax tubulin beta chain, putative 0.0187 1 0.5
Trypanosoma brucei beta tubulin 0.0187 1 0.5
Trypanosoma brucei beta tubulin 0.0187 1 0.5
Leishmania major beta tubulin 0.0187 1 0.5
Leishmania major beta tubulin 0.0187 1 0.5
Echinococcus granulosus tubulin subunit beta 0.0187 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1305 0.1305
Trichomonas vaginalis tubulin gamma chain, putative 0.0187 1 0.5
Schistosoma mansoni tubulin subunit beta 0.0187 1 1
Leishmania major beta tubulin 0.0187 1 0.5
Schistosoma mansoni tubulin subunit beta 0.0187 1 1
Loa Loa (eye worm) BEN-1 protein 0.0187 1 1
Leishmania major beta tubulin 0.0187 1 0.5
Trypanosoma cruzi beta tubulin, putative 0.0187 1 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0187 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0187 1 1
Trypanosoma brucei beta tubulin 0.0187 1 0.5
Brugia malayi Cation transporter family protein 0.0105 0.4383 0.4383
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1305 0.1305
Leishmania major beta tubulin 0.0187 1 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0174 0.9095 0.9095
Echinococcus multilocularis tubulin beta 1 chain 0.0187 1 1
Toxoplasma gondii beta-1 tubulin, putative 0.0187 1 0.5
Entamoeba histolytica tubulin family protein 0.0187 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.4383 0.4383
Leishmania major beta tubulin 0.0187 1 0.5
Echinococcus multilocularis beta tubulin 0.0187 1 1
Leishmania major beta tubulin 0.0187 1 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0187 1 0.5
Leishmania major beta tubulin 0.0187 1 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1305 0.1305
Echinococcus multilocularis Tubulin beta 2C chain 0.0187 1 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0187 1 1
Entamoeba histolytica tubulin family protein 0.0187 1 0.5
Schistosoma mansoni tubulin subunit beta 0.0187 1 1
Giardia lamblia Beta tubulin 0.0187 1 0.5
Echinococcus granulosus beta tubulin 0.0187 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0187 1 1
Schistosoma mansoni tubulin subunit beta 0.0187 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0187 1 1
Leishmania major beta tubulin 0.0187 1 0.5
Trypanosoma brucei beta tubulin 0.0187 1 0.5
Loa Loa (eye worm) tubulin beta-2A chain 0.0187 1 1
Brugia malayi beta-tubulin, identical 0.0187 1 1
Echinococcus granulosus tubulin beta 1 chain 0.0187 1 1
Leishmania major beta tubulin 0.0187 1 0.5
Loa Loa (eye worm) tubulin beta-1 chain 0.0187 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0187 1 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0105 0.4383 0.4383
Echinococcus multilocularis tubulin subunit beta 0.0187 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0187 1 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0187 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0187 1 1
Giardia lamblia Beta tubulin 0.0187 1 0.5
Loa Loa (eye worm) BEN-1 protein 0.0187 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0187 1 1
Leishmania major beta tubulin 0.0187 1 0.5
Loa Loa (eye worm) beta-tubulin 0.0187 1 1
Leishmania major beta tubulin 0.0187 1 0.5
Leishmania major beta tubulin 0.0187 1 0.5
Loa Loa (eye worm) tubulin beta-4 chain 0.0187 1 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.3234 0.3234
Toxoplasma gondii beta tubulin 0.0187 1 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0187 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0105 0.4383 0.4383
Loa Loa (eye worm) tubulin beta chain 0.0187 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0187 1 1
Leishmania major beta tubulin 0.0187 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0174 0.9095 0.9095
Schistosoma mansoni tubulin subunit beta 0.0187 1 1
Leishmania major beta tubulin 0.0187 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.4383 0.4383
Plasmodium falciparum tubulin beta chain 0.0187 1 0.5
Leishmania major beta tubulin 0.0187 1 0.5
Echinococcus multilocularis beta tubulin 0.0187 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0187 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1305 0.1305
Trichomonas vaginalis tubulin, putative 0.0187 1 0.5
Toxoplasma gondii beta-tubulin, putative 0.0187 1 0.5
Echinococcus granulosus beta tubulin 0.0187 1 1
Leishmania major beta tubulin 0.0187 1 0.5
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0174 0.9095 0.9095
Trichomonas vaginalis tubulin alpha chain, putative 0.0187 1 0.5
Leishmania major beta tubulin 0.0187 1 0.5

Activities

No activities found for this compound.

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

No literature references available for this target.

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