Detailed information for compound 32992

Basic information

Technical information
  • TDR Targets ID: 32992
  • Name: 4-pyrrol-1-yliminocyclohexa-2,5-dien-1-one
  • MW: 172.183 | Formula: C10H8N2O
  • H donors: 0 H acceptors: 1 LogP: 1.04 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C=C/C(=N/n2cccc2)/C=C1
  • InChi: 1S/C10H8N2O/c13-10-5-3-9(4-6-10)11-12-7-1-2-8-12/h1-8H
  • InChiKey: APCVTHZXVNEPBD-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(1-pyrrolylimino)-1-cyclohexa-2,5-dienone
  • 4-(1H-pyrrol-1-ylamino)-2,5-cyclohexadien-1-one
  • AIDS-010854
  • AIDS010854

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 0.0237 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0237 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0237 1 1
Entamoeba histolytica tubulin family protein 0.0237 1 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.5571 0.5571
Echinococcus multilocularis peroxisome assembly protein 26 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0179 0.5571 0.5571
Plasmodium falciparum alpha tubulin 1 0.0179 0.5571 0.4682
Echinococcus multilocularis Tubulin beta 2C chain 0.0237 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0123 0.1296 0.1296
Echinococcus granulosus tubulin alpha 1C chain 0.0179 0.5571 0.4682
Loa Loa (eye worm) beta-tubulin 0.0237 1 1
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Schistosoma mansoni tubulin subunit beta 0.0237 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.1296 0.1296
Echinococcus granulosus alpha tubulin 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin gamma chain, putative 0.0128 0.1672 0.1672
Trichomonas vaginalis tubulin alpha chain, putative 0.0237 1 1
Echinococcus granulosus tubulin subunit beta 0.0237 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0237 1 1
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0179 0.5571 0.5571
Leishmania major beta tubulin 0.0237 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0179 0.5571 0.4682
Echinococcus multilocularis Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0179 0.5571 0.5571
Giardia lamblia Beta tubulin 0.0237 1 1
Leishmania major beta tubulin 0.0237 1 1
Echinococcus granulosus tubulin alpha chain 0.0179 0.5571 0.4682
Schistosoma mansoni tubulin subunit beta 0.0237 1 1
Echinococcus granulosus tubulin alpha chain 0.0179 0.5571 0.4682
Brugia malayi tubulin alpha-2 chain 0.0179 0.5571 0.4682
Echinococcus multilocularis Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Echinococcus multilocularis tubulin alpha chain 0.0179 0.5571 0.4682
Toxoplasma gondii beta-tubulin, putative 0.0237 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0128 0.1672 0.1672
Echinococcus multilocularis beta tubulin 0.0237 1 1
Schistosoma mansoni tubulin subunit alpha 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0179 0.5571 0.5571
Loa Loa (eye worm) alpha-tubulin 0.0179 0.5571 0.5571
Echinococcus granulosus Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Toxoplasma gondii beta-1 tubulin, putative 0.0237 1 1
Leishmania major beta tubulin 0.0237 1 1
Schistosoma mansoni alpha tubulin 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0179 0.5571 0.5571
Trichomonas vaginalis tubulin beta chain, putative 0.0179 0.5571 0.5571
Loa Loa (eye worm) tubulin alpha chain 0.0179 0.5571 0.5571
Schistosoma mansoni tubulin subunit beta 0.0237 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0128 0.1672 0.1672
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0123 0.1296 0.1296
Echinococcus granulosus beta tubulin 0.0237 1 1
Leishmania major beta tubulin 0.0237 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0179 0.5571 0.4682
Plasmodium falciparum tubulin beta chain 0.0237 1 1
Brugia malayi tubulin alpha chain - mouse 0.0179 0.5571 0.4682
Leishmania major beta tubulin 0.0237 1 1
Trypanosoma brucei beta tubulin 0.0237 1 1
Trypanosoma brucei alpha tubulin 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin alpha chain 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
Toxoplasma gondii alpha-tubulin I, putative 0.0179 0.5571 0.4682
Brugia malayi Tubulin alpha-2 chain 0.0179 0.5571 0.4682
Echinococcus multilocularis tubulin alpha chain 0.0179 0.5571 0.4682
Leishmania major beta tubulin 0.0237 1 1
Schistosoma mansoni tubulin subunit alpha 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Trypanosoma brucei alpha tubulin 0.0179 0.5571 0.4682
Trypanosoma brucei beta tubulin 0.0237 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0237 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0179 0.5571 0.5571
Echinococcus granulosus tubulin beta 1 chain 0.0237 1 1
Trypanosoma brucei alpha tubulin 0.0179 0.5571 0.4682
Echinococcus granulosus beta tubulin 0.0237 1 1
Brugia malayi beta-tubulin, identical 0.0237 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0237 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0179 0.5571 0.4682
Trichomonas vaginalis tubulin alpha chain, putative 0.0128 0.1672 0.1672
Echinococcus multilocularis tubulin subunit beta 0.0237 1 1
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Giardia lamblia Alpha-tubulin 0.0179 0.5571 0.4682
Schistosoma mansoni tubulin subunit beta 0.0237 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0237 1 1
Echinococcus granulosus tubulin alpha chain 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin alpha chain 0.0179 0.5571 0.4682
Giardia lamblia Beta tubulin 0.0237 1 1
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Echinococcus granulosus Tubulin beta 2C chain 0.0237 1 1
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
Echinococcus multilocularis Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Trypanosoma cruzi beta tubulin, putative 0.0237 1 1
Loa Loa (eye worm) alpha-tubulin 0.0179 0.5571 0.5571
Echinococcus multilocularis Tubulin beta 2C chain 0.0237 1 1
Leishmania major beta tubulin 0.0237 1 1
Echinococcus multilocularis tubulin beta 1 chain 0.0237 1 1
Loa Loa (eye worm) tubulin beta chain 0.0237 1 1
Loa Loa (eye worm) BEN-1 protein 0.0237 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0237 1 1
Toxoplasma gondii beta tubulin 0.0237 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0237 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin alpha 1C chain 0.0179 0.5571 0.4682
Echinococcus multilocularis Tubulin beta 2C chain 0.0237 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0179 0.5571 0.5571
Echinococcus multilocularis tubulin alpha chain 0.0179 0.5571 0.4682
Echinococcus multilocularis tubulin alpha chain 0.0179 0.5571 0.4682
Leishmania major beta tubulin 0.0237 1 1
Echinococcus multilocularis beta tubulin 0.0237 1 1
Leishmania major beta tubulin 0.0237 1 1
Trypanosoma brucei beta tubulin 0.0237 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0237 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Entamoeba histolytica tubulin family protein 0.0237 1 1
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Echinococcus granulosus Tubulin beta 2C chain 0.0237 1 1
Leishmania major beta tubulin 0.0237 1 1
Leishmania major beta tubulin 0.0237 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0179 0.5571 0.4682
Echinococcus multilocularis tubulin alpha 3 chain 0.0179 0.5571 0.4682
Entamoeba histolytica tubulin alpha-1 chain 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Entamoeba histolytica tubulin alpha chain, putative 0.0179 0.5571 0.4682
Leishmania major beta tubulin 0.0237 1 1
Trichomonas vaginalis tubulin, putative 0.0237 1 1
Plasmodium falciparum alpha tubulin 2 0.0179 0.5571 0.4682
Loa Loa (eye worm) tubulin alpha chain 0.0179 0.5571 0.5571
Brugia malayi alpha-tubulin 0.0179 0.5571 0.4682
Plasmodium vivax tubulin alpha chain, putative 0.0179 0.5571 0.4682
Loa Loa (eye worm) tubulin alpha 2 0.0123 0.1296 0.1296
Loa Loa (eye worm) BEN-1 protein 0.0237 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0237 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0179 0.5571 0.4682
Trypanosoma brucei beta tubulin 0.0237 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0123 0.1296 0.1296
Trypanosoma cruzi alpha tubulin, putative 0.0179 0.5571 0.4682
Brugia malayi Tubulin alpha chain 0.0179 0.5571 0.4682
Echinococcus granulosus tubulin subunit TubB 0.0179 0.5571 0.4682
Echinococcus multilocularis Tubulin beta 2C chain 0.0237 1 1
Leishmania major beta tubulin 0.0237 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0237 1 1
Plasmodium vivax tubulin beta chain, putative 0.0237 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0179 0.5571 0.5571
Leishmania major beta tubulin 0.0237 1 1
Echinococcus multilocularis hypothetical protein 0.0179 0.5571 0.4682
Leishmania major beta tubulin 0.0237 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0179 0.5571 0.4682
Leishmania major beta tubulin 0.0237 1 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0237 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0179 0.5571 0.4682
Schistosoma mansoni tubulin subunit beta 0.0237 1 1
Schistosoma mansoni alpha tubulin 0.0179 0.5571 0.4682
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Echinococcus multilocularis tubulin alpha chain 0.0179 0.5571 0.4682
Trypanosoma brucei alpha tubulin 0.0179 0.5571 0.4682
Schistosoma mansoni tubulin subunit beta 0.0237 1 1
Leishmania major alpha tubulin 0.0179 0.5571 0.4682
Echinococcus multilocularis tubulin alpha 1C chain 0.0179 0.5571 0.4682
Brugia malayi Tubulin alpha-2 chain 0.0179 0.5571 0.4682
Leishmania major beta tubulin 0.0237 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.0179 0.5571 0.4682
Loa Loa (eye worm) tubulin beta-2A chain 0.0237 1 1
Schistosoma mansoni alpha tubulin 0.0179 0.5571 0.4682
Leishmania major beta tubulin 0.0237 1 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) <= 7.8 ug ml-1 In vitro minimum inhibitory concentration against Staphylococcus aureus ChEMBL. 7310807
MIC (functional) = 62.5 ug ml-1 In vitro minimum inhibitory concentration against Proteus mirabilis ChEMBL. 7310807
MID (functional) = 0.03125 Minimum inhibitory dilution of medicated rat urine tested in vitro for antibacterial activity against Staphylococcus aureus; Equal to 1:32 ChEMBL. 7310807
MID (functional) = 0.25 Minimum inhibitory dilution of medicated rat urine tested in vitro for antibacterial activity against Proteus mirabilis; Equal to 1:4 ChEMBL. 7310807
Survival (functional) = 0 % Antitubercular activity of the compound (3.1 mg/kg) in the 31-day murine mice model ChEMBL. 7310807
Survival (functional) = 0 % Antitubercular activity of the compound (3.1 mg/kg) in the 31-day murine mice model ChEMBL. 7310807
Survival (functional) = 60 % Antitubercular activity of the compound (6.25 mg/kg) in the 31-day murine mice model ChEMBL. 7310807
Survival (functional) = 60 % Antitubercular activity of the compound (6.25 mg/kg) in the 31-day murine mice model ChEMBL. 7310807
Survival (functional) = 100 % Antitubercular activity of the compound (12.5 mg/kg) in the 31-day murine mice model ChEMBL. 7310807
Survival (functional) = 100 % Antitubercular activity of the compound (25 mg/kg) in the 31-day murine mice model ChEMBL. 7310807
Survival (functional) = 100 % Antitubercular activity of the compound (50 mg/kg) in the 31-day murine mice model ChEMBL. 7310807
Survival (functional) = 100 % Antitubercular activity of the compound (12.5 mg/kg) in the 31-day murine mice model ChEMBL. 7310807
Survival (functional) = 100 % Antitubercular activity of the compound (25 mg/kg) in the 31-day murine mice model ChEMBL. 7310807
Survival (functional) = 100 % Antitubercular activity of the compound (50 mg/kg) in the 31-day murine mice model ChEMBL. 7310807

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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