Detailed information for compound 914025

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 527.569 | Formula: C33H25N3O4
  • H donors: 1 H acceptors: 4 LogP: 6.08 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: [O-][N+](=O)c1ccc(cc1)[C@@H]1CN([C@]2([C@@]31CCc1c(C3=O)[nH]c3c1cccc3)C(=O)c1c3c2cccc3ccc1)C
  • InChi: 1S/C33H25N3O4/c1-35-18-26(19-12-14-21(15-13-19)36(39)40)32(17-16-23-22-8-2-3-11-27(22)34-29(23)31(32)38)33(35)25-10-5-7-20-6-4-9-24(28(20)25)30(33)37/h2-15,26,34H,16-18H2,1H3/t26-,32+,33-/m0/s1
  • InChiKey: BSIWHOOWMGTERS-MGMSZRMWSA-N  

Network

Hover on a compound node to display the structore

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
Echinococcus multilocularis Tubulin beta 2C chain 0.0378 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0231 0.4116 0.2497
Echinococcus multilocularis hypothetical protein 0.0231 0.4116 0.2497
Echinococcus granulosus Tubulin alpha 1 chain 0.0231 0.4116 0.2497
Echinococcus multilocularis Tubulin alpha 1 chain 0.0231 0.4116 0.2497
Schistosoma mansoni tubulin subunit alpha 0.0231 0.4116 0.2497
Leishmania major beta tubulin 0.0378 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0378 1 1
Leishmania major beta tubulin 0.0378 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0231 0.4116 0.2497
Echinococcus granulosus tubulin beta 4A class IVa 0.0378 1 1
Echinococcus granulosus tubulin alpha chain 0.0231 0.4116 0.2497
Loa Loa (eye worm) tubulin beta chain 0.0378 1 1
Echinococcus granulosus alpha tubulin 0.0231 0.4116 0.2497
Echinococcus granulosus tubulin beta 1 chain 0.0378 1 1
Schistosoma mansoni alpha tubulin 0.0231 0.4116 0.2497
Entamoeba histolytica tubulin family protein 0.0378 1 1
Schistosoma mansoni tubulin subunit beta 0.0378 1 1
Brugia malayi beta-tubulin, identical 0.0378 1 1
Leishmania major alpha tubulin 0.0231 0.4116 0.2497
Leishmania major beta tubulin 0.0378 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0231 0.4116 0.2497
Echinococcus multilocularis beta tubulin 0.0378 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0182 0.2158 0.2158
Brugia malayi Tubulin alpha-2 chain 0.0231 0.4116 0.2497
Loa Loa (eye worm) BEN-1 protein 0.0378 1 1
Leishmania major beta tubulin 0.0378 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0231 0.4116 0.4116
Loa Loa (eye worm) tubulin alpha chain 0.0231 0.4116 0.4116
Echinococcus granulosus tubulin subunit TubB 0.0231 0.4116 0.2497
Plasmodium falciparum alpha tubulin 2 0.0231 0.4116 0.2497
Schistosoma mansoni alpha tubulin 0.0231 0.4116 0.2497
Echinococcus granulosus Tubulin alpha 1 chain 0.0231 0.4116 0.2497
Trichomonas vaginalis tubulin gamma chain, putative 0.0182 0.2158 0.2158
Schistosoma mansoni tubulin subunit beta 0.0378 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0231 0.4116 0.2497
Leishmania major beta tubulin 0.0378 1 1
Brugia malayi tubulin alpha-2 chain 0.0231 0.4116 0.2497
Schistosoma mansoni tubulin subunit beta 0.0378 1 1
Trypanosoma brucei alpha tubulin 0.0231 0.4116 0.2497
Entamoeba histolytica tubulin alpha chain, putative 0.0231 0.4116 0.2497
Echinococcus multilocularis tubulin alpha chain 0.0231 0.4116 0.2497
Loa Loa (eye worm) hypothetical protein 0.0152 0.0958 0.0958
Trypanosoma brucei alpha tubulin 0.0231 0.4116 0.2497
Loa Loa (eye worm) alpha-tubulin 0.0231 0.4116 0.4116
Echinococcus granulosus Tubulin beta 2C chain 0.0378 1 1
Leishmania major beta tubulin 0.0378 1 1
Echinococcus multilocularis tubulin alpha chain 0.0231 0.4116 0.2497
Leishmania major alpha tubulin 0.0231 0.4116 0.2497
Schistosoma mansoni tubulin subunit beta 0.0378 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0378 1 1
Echinococcus granulosus tubulin alpha chain 0.0231 0.4116 0.2497
Leishmania major alpha tubulin 0.0231 0.4116 0.2497
Echinococcus granulosus tubulin subunit beta 0.0378 1 1
Giardia lamblia Beta tubulin 0.0378 1 1
Echinococcus multilocularis beta tubulin 0.0378 1 1
Leishmania major alpha tubulin 0.0231 0.4116 0.2497
Trypanosoma brucei beta tubulin 0.0378 1 1
Brugia malayi alpha-tubulin 0.0231 0.4116 0.2497
Giardia lamblia Alpha-tubulin 0.0231 0.4116 0.2497
Leishmania major beta tubulin 0.0378 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0231 0.4116 0.4116
Schistosoma mansoni tubulin subunit beta 0.0378 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0378 1 1
Loa Loa (eye worm) alpha-tubulin 0.0231 0.4116 0.4116
Toxoplasma gondii beta-tubulin, putative 0.0378 1 1
Entamoeba histolytica tubulin family protein 0.0378 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.0231 0.4116 0.2497
Echinococcus multilocularis tubulin alpha 1C chain 0.0231 0.4116 0.2497
Trichomonas vaginalis tubulin gamma chain, putative 0.0182 0.2158 0.2158
Leishmania major beta tubulin 0.0378 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0231 0.4116 0.2497
Echinococcus granulosus tubulin alpha 3 chain 0.0231 0.4116 0.2497
Trypanosoma brucei beta tubulin 0.0378 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0378 1 1
Echinococcus granulosus tubulin alpha chain 0.0231 0.4116 0.2497
Echinococcus multilocularis tubulin alpha chain 0.0231 0.4116 0.2497
Echinococcus multilocularis tubulin alpha 3 chain 0.0231 0.4116 0.2497
Leishmania major alpha tubulin 0.0231 0.4116 0.2497
Toxoplasma gondii beta-1 tubulin, putative 0.0378 1 1
Toxoplasma gondii beta tubulin 0.0378 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0231 0.4116 0.4116
Leishmania major beta tubulin 0.0378 1 1
Schistosoma mansoni tubulin subunit alpha 0.0231 0.4116 0.2497
Entamoeba histolytica tubulin alpha-1 chain 0.0231 0.4116 0.2497
Giardia lamblia Beta tubulin 0.0378 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0231 0.4116 0.4116
Leishmania major beta tubulin 0.0378 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0231 0.4116 0.2497
Trypanosoma brucei beta tubulin 0.0378 1 1
Schistosoma mansoni tubulin subunit alpha 0.0231 0.4116 0.2497
Leishmania major alpha tubulin 0.0231 0.4116 0.2497
Trichomonas vaginalis tubulin epsilon chain, putative 0.0378 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0378 1 1
Plasmodium falciparum alpha tubulin 1 0.0231 0.4116 0.2497
Echinococcus granulosus tubulin alpha 1C chain 0.0231 0.4116 0.2497
Trichomonas vaginalis tubulin epsilon chain, putative 0.0231 0.4116 0.4116
Leishmania major beta tubulin 0.0378 1 1
Echinococcus multilocularis tubulin alpha chain 0.0231 0.4116 0.2497
Echinococcus multilocularis tubulin subunit beta 0.0378 1 1
Trypanosoma cruzi alpha tubulin, putative 0.0231 0.4116 0.2497
Echinococcus multilocularis tubulin alpha chain 0.0231 0.4116 0.2497
Leishmania major beta tubulin 0.0378 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0378 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0152 0.0958 0.0958
Leishmania major beta tubulin 0.0378 1 1
Giardia lamblia Beta tubulin 0.0378 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0231 0.4116 0.2497
Loa Loa (eye worm) tubulin beta-1 chain 0.0378 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0152 0.0958 0.0958
Plasmodium vivax tubulin alpha chain, putative 0.0231 0.4116 0.2497
Trypanosoma brucei alpha tubulin 0.0231 0.4116 0.2497
Leishmania major beta tubulin 0.0378 1 1
Leishmania major beta tubulin 0.0378 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0231 0.4116 0.4116
Leishmania major beta tubulin 0.0378 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0378 1 1
Brugia malayi Tubulin alpha chain 0.0231 0.4116 0.2497
Echinococcus granulosus beta tubulin 0.0378 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0378 1 1
Trypanosoma cruzi beta tubulin, putative 0.0378 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0182 0.2158 0.2158
Trichomonas vaginalis tubulin beta chain, putative 0.0231 0.4116 0.4116
Trichomonas vaginalis tubulin beta chain, putative 0.0231 0.4116 0.4116
Echinococcus granulosus Tubulin beta 2C chain 0.0378 1 1
Echinococcus granulosus tubulin alpha chain 0.0231 0.4116 0.2497
Leishmania major alpha tubulin 0.0231 0.4116 0.2497
Echinococcus granulosus Tubulin beta 2C chain 0.0378 1 1
Loa Loa (eye worm) beta-tubulin 0.0378 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0231 0.4116 0.2497
Leishmania major beta tubulin 0.0378 1 1
Loa Loa (eye worm) BEN-1 protein 0.0378 1 1
Plasmodium falciparum tubulin beta chain 0.0378 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0231 0.4116 0.2497
Echinococcus multilocularis Tubulin beta 2C chain 0.0378 1 1
Trichomonas vaginalis tubulin, putative 0.0378 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0378 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0231 0.4116 0.4116
Plasmodium vivax tubulin alpha chain, putative 0.0231 0.4116 0.2497
Leishmania major beta tubulin 0.0378 1 1
Giardia lamblia Alpha-tubulin 0.0231 0.4116 0.2497
Echinococcus multilocularis Tubulin beta 2C chain 0.0378 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0152 0.0958 0.0958
Plasmodium vivax tubulin beta chain, putative 0.0378 1 1
Leishmania major alpha tubulin 0.0231 0.4116 0.2497
Schistosoma mansoni tubulin subunit beta 0.0378 1 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.4116 0.4116
Leishmania major alpha tubulin 0.0231 0.4116 0.2497
Trypanosoma brucei beta tubulin 0.0378 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0231 0.4116 0.2497
Trichomonas vaginalis tubulin beta chain, putative 0.0231 0.4116 0.4116
Echinococcus multilocularis tubulin beta 1 chain 0.0378 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0152 0.0958 0.0958
Leishmania major alpha tubulin 0.0231 0.4116 0.2497
Trichomonas vaginalis tubulin gamma chain, putative 0.0378 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0231 0.4116 0.2497
Trichomonas vaginalis tubulin epsilon chain, putative 0.0378 1 1
Schistosoma mansoni alpha tubulin 0.0231 0.4116 0.2497
Echinococcus granulosus tubulin alpha chain 0.0231 0.4116 0.2497
Trypanosoma brucei alpha tubulin 0.0231 0.4116 0.2497
Brugia malayi Tubulin alpha-2 chain 0.0231 0.4116 0.2497
Brugia malayi tubulin alpha chain - mouse 0.0231 0.4116 0.2497
Trichomonas vaginalis tubulin beta chain, putative 0.0231 0.4116 0.4116
Leishmania major alpha tubulin 0.0231 0.4116 0.2497
Echinococcus granulosus beta tubulin 0.0378 1 1
Leishmania major alpha tubulin 0.0231 0.4116 0.2497

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.