Detailed information for compound 1726648

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 442.442 | Formula: C25H19FN4O3
  • H donors: 3 H acceptors: 3 LogP: 2.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2)NC1CNC(=O)c2c1cccc2
  • InChi: 1S/C25H19FN4O3/c26-20-10-9-14(12-21-15-5-1-4-8-18(15)25(33)30-29-21)11-19(20)24(32)28-22-13-27-23(31)17-7-3-2-6-16(17)22/h1-11,22H,12-13H2,(H,27,31)(H,28,32)(H,30,33)
  • InChiKey: OBRIVOPVLAXDPM-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
Trichomonas vaginalis tubulin beta chain, putative 0.0179 0.5571 0.5571
Echinococcus multilocularis Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Loa Loa (eye worm) tubulin gamma chain 0.0128 0.1672 0.1672
Echinococcus multilocularis tubulin alpha 3 chain 0.0179 0.5571 0.4682
Echinococcus multilocularis Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin alpha 1C chain 0.0179 0.5571 0.4682
Echinococcus multilocularis tubulin alpha 3 chain 0.0179 0.5571 0.4682
Brugia malayi tubulin alpha chain - mouse 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0179 0.5571 0.5571
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Brugia malayi Tubulin alpha chain 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin alpha 3 chain 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin gamma chain, putative 0.0128 0.1672 0.1672
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin epsilon chain, putative 0.0179 0.5571 0.5571
Echinococcus multilocularis tubulin alpha chain 0.0179 0.5571 0.4682
Echinococcus granulosus alpha tubulin 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin alpha chain 0.0179 0.5571 0.4682
Echinococcus multilocularis Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Echinococcus granulosus Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Plasmodium vivax tubulin alpha chain, putative 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Brugia malayi Tubulin alpha-2 chain 0.0179 0.5571 0.4682
Loa Loa (eye worm) alpha-tubulin 0.0179 0.5571 0.5571
Plasmodium vivax tubulin alpha chain, putative 0.0179 0.5571 0.4682
Echinococcus multilocularis tubulin alpha chain 0.0179 0.5571 0.4682
Loa Loa (eye worm) hypothetical protein 0.0179 0.5571 0.5571
Echinococcus multilocularis tubulin alpha chain 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin alpha chain, putative 0.0128 0.1672 0.1672
Schistosoma mansoni tubulin subunit alpha 0.0179 0.5571 0.4682
Echinococcus multilocularis tubulin subunit TubB 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Echinococcus multilocularis hypothetical protein 0.0179 0.5571 0.4682
Trypanosoma brucei alpha tubulin 0.0179 0.5571 0.4682
Loa Loa (eye worm) tubulin alpha chain 0.0179 0.5571 0.5571
Trypanosoma brucei alpha tubulin 0.0179 0.5571 0.4682
Schistosoma mansoni alpha tubulin 0.0179 0.5571 0.4682
Schistosoma mansoni tubulin subunit alpha 0.0179 0.5571 0.4682
Giardia lamblia Alpha-tubulin 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0179 0.5571 0.5571
Loa Loa (eye worm) tubulin alpha 2 0.0123 0.1296 0.1296
Echinococcus granulosus tubulin subunit TubB 0.0179 0.5571 0.4682
Loa Loa (eye worm) tubulin alpha chain 0.0179 0.5571 0.5571
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0179 0.5571 0.5571
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Giardia lamblia Alpha-tubulin 0.0179 0.5571 0.4682
Plasmodium falciparum alpha tubulin 2 0.0179 0.5571 0.4682
Echinococcus granulosus Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin alpha 1C chain 0.0179 0.5571 0.4682
Trypanosoma brucei alpha tubulin 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin epsilon chain, putative 0.0179 0.5571 0.5571
Echinococcus granulosus Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0179 0.5571 0.5571
Echinococcus multilocularis tubulin alpha chain 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin alpha chain 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin alpha chain 0.0179 0.5571 0.4682
Schistosoma mansoni alpha tubulin 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin alpha 3 chain 0.0179 0.5571 0.4682
Echinococcus multilocularis peroxisome assembly protein 26 0.0179 0.5571 0.4682
Loa Loa (eye worm) tubulin alpha 2 0.0123 0.1296 0.1296
Echinococcus multilocularis tubulin alpha 1C chain 0.0179 0.5571 0.4682
Loa Loa (eye worm) tubulin alpha-2 chain 0.0179 0.5571 0.5571
Toxoplasma gondii alpha tubulin TUBA1 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin alpha chain 0.0179 0.5571 0.4682
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0123 0.1296 0.1296
Echinococcus multilocularis tubulin alpha chain 0.0179 0.5571 0.4682
Brugia malayi alpha-tubulin 0.0179 0.5571 0.4682
Brugia malayi tubulin alpha-2 chain 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0179 0.5571 0.5571
Trypanosoma cruzi alpha tubulin, putative 0.0179 0.5571 0.4682
Toxoplasma gondii alpha-tubulin I, putative 0.0179 0.5571 0.4682
Loa Loa (eye worm) hypothetical protein 0.0123 0.1296 0.1296
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0179 0.5571 0.5571
Schistosoma mansoni tubulin subunit alpha 0.0179 0.5571 0.4682
Brugia malayi Tubulin alpha-2 chain 0.0179 0.5571 0.4682
Echinococcus granulosus peroxisome assembly protein 26 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin gamma chain, putative 0.0128 0.1672 0.1672
Plasmodium falciparum alpha tubulin 1 0.0179 0.5571 0.4682
Echinococcus multilocularis tubulin alpha 1C chain 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Schistosoma mansoni alpha tubulin 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0123 0.1296 0.1296
Echinococcus granulosus tubulin alpha chain 0.0179 0.5571 0.4682
Trypanosoma brucei alpha tubulin 0.0179 0.5571 0.4682
Entamoeba histolytica tubulin alpha chain, putative 0.0179 0.5571 0.4682
Entamoeba histolytica tubulin alpha-1 chain 0.0179 0.5571 0.4682
Loa Loa (eye worm) alpha-tubulin 0.0179 0.5571 0.5571

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 86.34 uM Inhibition of human recombinant PARP1 after 1 hr by ELISA ChEMBL. 23473053

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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