Detailed information for compound 1722907

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 459.756 | Formula: C22H17Cl3N4O
  • H donors: 0 H acceptors: 3 LogP: 5.01 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)C(Cn1nnc(c1)c1ccccn1)OCc1ccc(cc1)Cl
  • InChi: 1S/C22H17Cl3N4O/c23-16-6-4-15(5-7-16)14-30-22(18-9-8-17(24)11-19(18)25)13-29-12-21(27-28-29)20-3-1-2-10-26-20/h1-12,22H,13-14H2
  • InChiKey: YVMRPXRVGIFFQC-UHFFFAOYSA-N  

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
Echinococcus multilocularis tubulin alpha chain 0.0487 0.3995 0.2303
Echinococcus multilocularis tubulin alpha chain 0.0487 0.3995 0.2303
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0318 0.0929 0.0929
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Schistosoma mansoni tubulin subunit alpha 0.0487 0.3995 0.2303
Trichomonas vaginalis tubulin beta chain, putative 0.0487 0.3995 0.3995
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0318 0.0929 0.0929
Echinococcus multilocularis Tubulin alpha 1 chain 0.0487 0.3995 0.2303
Trichomonas vaginalis tubulin beta chain, putative 0.0487 0.3995 0.3995
Brugia malayi tubulin alpha-2 chain 0.0487 0.3995 0.2303
Loa Loa (eye worm) tubulin alpha chain 0.0487 0.3995 0.3995
Loa Loa (eye worm) tubulin gamma chain 0.0388 0.2199 0.2199
Echinococcus multilocularis tubulin alpha chain 0.0487 0.3995 0.2303
Trichomonas vaginalis tubulin beta chain, putative 0.0487 0.3995 0.3995
Brugia malayi alpha-tubulin 0.0487 0.3995 0.2303
Trypanosoma brucei alpha tubulin 0.0487 0.3995 0.2303
Echinococcus granulosus tubulin alpha chain 0.0487 0.3995 0.2303
Toxoplasma gondii alpha tubulin TUBA1 0.0487 0.3995 0.2303
Plasmodium vivax tubulin alpha chain, putative 0.0487 0.3995 0.2303
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Entamoeba histolytica tubulin alpha chain, putative 0.0487 0.3995 0.2303
Echinococcus multilocularis tubulin alpha 1C chain 0.0487 0.3995 0.2303
Echinococcus granulosus Tubulin alpha 1 chain 0.0487 0.3995 0.2303
Echinococcus multilocularis Tubulin alpha 1 chain 0.0487 0.3995 0.2303
Echinococcus multilocularis peroxisome assembly protein 26 0.0487 0.3995 0.2303
Loa Loa (eye worm) alpha-tubulin 0.0487 0.3995 0.3995
Loa Loa (eye worm) tubulin alpha 2 0.0318 0.0929 0.0929
Echinococcus granulosus tubulin alpha chain 0.0487 0.3995 0.2303
Trichomonas vaginalis tubulin beta chain, putative 0.0487 0.3995 0.3995
Plasmodium falciparum alpha tubulin 2 0.0487 0.3995 0.2303
Loa Loa (eye worm) tubulin alpha chain 0.0487 0.3995 0.3995
Trichomonas vaginalis tubulin gamma chain, putative 0.0388 0.2199 0.2199
Trichomonas vaginalis tubulin alpha chain, putative 0.0388 0.2199 0.2199
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Trypanosoma brucei alpha tubulin 0.0487 0.3995 0.2303
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Echinococcus multilocularis tubulin alpha 1C chain 0.0487 0.3995 0.2303
Entamoeba histolytica tubulin alpha-1 chain 0.0487 0.3995 0.2303
Loa Loa (eye worm) tubulin alpha 2 0.0318 0.0929 0.0929
Trichomonas vaginalis tubulin beta chain, putative 0.0487 0.3995 0.3995
Echinococcus granulosus tubulin alpha 1C chain 0.0487 0.3995 0.2303
Plasmodium falciparum alpha tubulin 1 0.0487 0.3995 0.2303
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0487 0.3995 0.3995
Trichomonas vaginalis tubulin gamma chain, putative 0.0388 0.2199 0.2199
Trypanosoma cruzi alpha tubulin, putative 0.0487 0.3995 0.2303
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Loa Loa (eye worm) tubulin alpha-2 chain 0.0487 0.3995 0.3995
Echinococcus granulosus tubulin alpha 3 chain 0.0487 0.3995 0.2303
Echinococcus granulosus tubulin alpha 1C chain 0.0487 0.3995 0.2303
Echinococcus multilocularis hypothetical protein 0.0487 0.3995 0.2303
Echinococcus multilocularis tubulin subunit TubB 0.0487 0.3995 0.2303
Toxoplasma gondii alpha-tubulin I, putative 0.0487 0.3995 0.2303
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Trichomonas vaginalis tubulin beta chain, putative 0.0487 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0318 0.0929 0.0929
Echinococcus granulosus tubulin alpha 3 chain 0.0487 0.3995 0.2303
Brugia malayi Tubulin alpha-2 chain 0.0487 0.3995 0.2303
Echinococcus multilocularis Tubulin alpha 1 chain 0.0487 0.3995 0.2303
Brugia malayi tubulin alpha chain - mouse 0.0487 0.3995 0.2303
Brugia malayi Tubulin alpha chain 0.0487 0.3995 0.2303
Echinococcus granulosus Tubulin alpha 1 chain 0.0487 0.3995 0.2303
Echinococcus multilocularis tubulin alpha chain 0.0487 0.3995 0.2303
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Echinococcus multilocularis tubulin alpha 3 chain 0.0487 0.3995 0.2303
Giardia lamblia Alpha-tubulin 0.0487 0.3995 0.2303
Schistosoma mansoni tubulin subunit alpha 0.0487 0.3995 0.2303
Loa Loa (eye worm) alpha-tubulin 0.0487 0.3995 0.3995
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Schistosoma mansoni tubulin subunit alpha 0.0487 0.3995 0.2303
Brugia malayi Tubulin alpha-2 chain 0.0487 0.3995 0.2303
Trypanosoma brucei alpha tubulin 0.0487 0.3995 0.2303
Giardia lamblia Alpha-tubulin 0.0487 0.3995 0.2303
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Schistosoma mansoni alpha tubulin 0.0487 0.3995 0.2303
Schistosoma mansoni alpha tubulin 0.0487 0.3995 0.2303
Echinococcus granulosus tubulin alpha chain 0.0487 0.3995 0.2303
Leishmania major alpha tubulin 0.0487 0.3995 0.2303
Echinococcus granulosus peroxisome assembly protein 26 0.0487 0.3995 0.2303
Trichomonas vaginalis tubulin epsilon chain, putative 0.0487 0.3995 0.3995
Trypanosoma brucei alpha tubulin 0.0487 0.3995 0.2303
Echinococcus granulosus alpha tubulin 0.0487 0.3995 0.2303
Echinococcus granulosus tubulin alpha chain 0.0487 0.3995 0.2303
Echinococcus granulosus tubulin alpha chain 0.0487 0.3995 0.2303
Trichomonas vaginalis tubulin epsilon chain, putative 0.0487 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0487 0.3995 0.3995
Echinococcus granulosus Tubulin alpha 1 chain 0.0487 0.3995 0.2303
Schistosoma mansoni alpha tubulin 0.0487 0.3995 0.2303
Echinococcus multilocularis tubulin alpha chain 0.0487 0.3995 0.2303
Echinococcus granulosus tubulin subunit TubB 0.0487 0.3995 0.2303
Plasmodium vivax tubulin alpha chain, putative 0.0487 0.3995 0.2303
Echinococcus multilocularis tubulin alpha 3 chain 0.0487 0.3995 0.2303

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 256 ug ml-1 Antifungal activity against Candida albicans ATCC 90027 after 48 hrs by broth microdilution method ChEMBL. 23058885
MIC90 (functional) = 256 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv expressing GFP after 7 days by reporter gene assay ChEMBL. 23058885

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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