Detailed information for compound 316180

Basic information

Technical information
  • TDR Targets ID: 316180
  • Name: 7-azabicyclo[3.2.0]heptan-6-one
  • MW: 111.142 | Formula: C6H9NO
  • H donors: 1 H acceptors: 1 LogP: 0.19 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC2C1CCC2
  • InChi: 1S/C6H9NO/c8-6-4-2-1-3-5(4)7-6/h4-5H,1-3H2,(H,7,8)
  • InChiKey: AXDBIGNYXNSBHV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-Azabicyclo[3,2,0]heptan-7-one

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
Leishmania major methylthioadenosine phosphorylase, putative 0.00264392 0.167784 0.5
Schistosoma mansoni serine/threonine-protein kinase 0.00152355 0.0677798 0.0677798
Treponema pallidum pfs protein (pfs) 0.00264392 0.167784 0.5
Giardia lamblia UPL-1 0.00264392 0.167784 0.110788
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.00264392 0.167784 1
Entamoeba histolytica protein kinase, putative 0.00227125 0.13452 0.801744
Echinococcus multilocularis purine nucleoside phosphorylase 0.00932354 0.764005 0.764005
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0119675 1 1
Entamoeba histolytica protein kinase 2, putative 0.00148228 0.0640967 0.38202
Trichomonas vaginalis AGC family protein kinase 0.00227125 0.13452 0.13452
Toxoplasma gondii phosphorylase family protein 0.00264392 0.167784 1
Echinococcus granulosus nervana 2 0.0014658 0.0626253 0.0626253
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.00264392 0.167784 0.167784
Entamoeba histolytica protein kinase, putative 0.00222999 0.130837 0.779793
Echinococcus granulosus purine nucleoside phosphorylase 0.0119675 1 1
Trichomonas vaginalis AGC family protein kinase 0.00227125 0.13452 0.13452
Trichomonas vaginalis conserved hypothetical protein 0.00264392 0.167784 0.167784
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.00264392 0.167784 0.167784
Echinococcus granulosus purine nucleoside phosphorylase 0.0119675 1 1
Echinococcus multilocularis uridine phosphorylase 1 0.00264392 0.167784 0.167784
Entamoeba histolytica PH domain containing protein kinase, putative 0.00152355 0.0677798 0.403971
Trichomonas vaginalis AGC family protein kinase 0.00227125 0.13452 0.13452
Toxoplasma gondii Purine nucleoside phosphorylase 0.00264392 0.167784 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.00264392 0.167784 0.167784
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.00264392 0.167784 0.110788
Schistosoma mansoni purine nucleoside phosphorylase 0.0119675 1 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.00227125 0.13452 0.176072
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.00264392 0.167784 0.167784
Echinococcus granulosus methylthioadenosine phosphorylase 0.00264392 0.167784 0.167784
Echinococcus granulosus Glutaredoxin protein 5 0.0014658 0.0626253 0.0626253
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.00264392 0.167784 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.00264392 0.167784 1
Brugia malayi uridine phosphorylase family protein 0.00264392 0.167784 0.167784
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0119675 1 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.00264392 0.167784 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.00264392 0.167784 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0119675 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0119675 1 1
Echinococcus granulosus uridine phosphorylase 1 0.00264392 0.167784 0.167784
Schistosoma mansoni uridine phosphorylase 0.00264392 0.167784 0.167784
Echinococcus multilocularis purine nucleoside phosphorylase 0.0119675 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.00264392 0.167784 0.167784
Treponema pallidum uridine phosphorylase (udp) 0.00264392 0.167784 0.5
Plasmodium falciparum purine nucleoside phosphorylase 0.00264392 0.167784 1
Chlamydia trachomatis AMP nucleosidase 0.00264392 0.167784 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0119675 1 1
Leishmania major nucleoside phosphorylase-like protein 0.00264392 0.167784 0.5
Trypanosoma cruzi nucleoside phosphorylase, putative 0.00264392 0.167784 1
Trichomonas vaginalis conserved hypothetical protein 0.00264392 0.167784 0.167784
Brugia malayi MTAP 0.00264392 0.167784 0.167784
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.00264392 0.167784 0.5
Schistosoma mansoni purine nucleoside phosphorylase 0.0119675 1 1
Trichomonas vaginalis AGC family protein kinase 0.000805452 0.00368306 0.00368306
Trypanosoma cruzi Protein kinase B 0.00152355 0.0677798 0.0355209
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.00264392 0.167784 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.00148228 0.0640967 0.0640967
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.00264392 0.167784 1
Echinococcus multilocularis methylthioadenosine phosphorylase 0.00264392 0.167784 0.167784
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.00932354 0.764005 0.764005
Entamoeba histolytica hypothetical protein 0.00264392 0.167784 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0119675 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.00264392 0.167784 0.167784
Echinococcus granulosus nervana 2 0.0014658 0.0626253 0.0626253
Echinococcus granulosus purine nucleoside phosphorylase 0.0119675 1 1
Trichomonas vaginalis AGC family protein kinase 0.00227125 0.13452 0.13452
Trypanosoma cruzi nucleoside phosphorylase, putative 0.00264392 0.167784 1
Trichomonas vaginalis AGC family protein kinase 0.00227125 0.13452 0.13452
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.00148228 0.0640967 0.0640967
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.00264392 0.167784 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0119675 1 1
Echinococcus multilocularis nervana 2 0.0014658 0.0626253 0.0626253
Schistosoma mansoni uridine phosphorylase 0.00264392 0.167784 0.167784
Schistosoma mansoni serine/threonine-protein kinase 0.00152355 0.0677798 0.0677798
Echinococcus multilocularis purine nucleoside phosphorylase 0.0119675 1 1
Echinococcus granulosus serine threonine protein kinase nrc 0.00148228 0.0640967 0.0640967
Loa Loa (eye worm) hypothetical protein 0.00932354 0.764005 1
Entamoeba histolytica protein kinase, putative 0.00227125 0.13452 0.801744
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0119675 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.00264392 0.167784 1
Brugia malayi p70 ribosomal S6 kinase beta 0.00222999 0.130837 0.130837
Echinococcus granulosus purine nucleoside phosphorylase 0.0119675 1 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.00264392 0.167784 0.110788
Echinococcus multilocularis nervana 2 0.0014658 0.0626253 0.0626253
Echinococcus multilocularis purine nucleoside phosphorylase 0.00932354 0.764005 0.764005
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.00222999 0.130837 0.171251
Toxoplasma gondii phosphorylase family protein 0.00264392 0.167784 1
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0119675 1 1
Trypanosoma brucei uridine phosphorylase 0.00264392 0.167784 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.00264392 0.167784 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.00264392 0.167784 0.167784
Brugia malayi Protein kinase domain containing protein 0.00227125 0.13452 0.13452
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0119675 1 0.5
Echinococcus multilocularis rac serine:threonine kinase 0.00152355 0.0677798 0.0677798
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0119675 1 1
Echinococcus granulosus serine/threonine protein kinase 0.00152355 0.0677798 0.0677798
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0119675 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0014658 0.0626253 0.0626253
Entamoeba histolytica PH domain containing protein kinase, putative 0.00152355 0.0677798 0.403971
Echinococcus multilocularis purine nucleoside phosphorylase 0.0119675 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.00264392 0.167784 0.167784
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.00264392 0.167784 0.219611
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.00264392 0.167784 1
Echinococcus multilocularis Glutaredoxin protein 5 0.0014658 0.0626253 0.0626253
Trichomonas vaginalis AGC family protein kinase 0.00227125 0.13452 0.13452
Schistosoma mansoni methylthioadenosine phosphorylase 0.00264392 0.167784 0.167784
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.00264392 0.167784 0.167784
Trichomonas vaginalis AGC family protein kinase 0.00227125 0.13452 0.13452
Loa Loa (eye worm) uridine phosphorylase 0.00264392 0.167784 0.219611
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0014658 0.0626253 0.0626253
Trypanosoma cruzi rac serine-threonine kinase, putative 0.00152355 0.0677798 0.0355209
Echinococcus multilocularis purine nucleoside phosphorylase 0.0119675 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0119675 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 12.4 uM In vitro antimalarial activity of the compound against chloroquine resistant Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389
IC50 (functional) = 12.4 uM In vitro antimalarial activity of the compound against chloroquine resistant Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389
IC50 (functional) = 13.5 uM In vitro antimalarial activity of the compound against chloroquine sensitive Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389
IC50 (functional) = 13.5 uM In vitro antimalarial activity of the compound against chloroquine sensitive Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389
IC90 (functional) = 31.9 uM In vitro antimalarial activity of the compound against chloroquine sensitive Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389
IC90 (functional) = 31.9 uM In vitro antimalarial activity of the compound against chloroquine sensitive Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389
IC90 (functional) = 34.5 uM In vitro antimalarial activity of the compound against chloroquine resistant Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389
IC90 (functional) = 34.5 uM In vitro antimalarial activity of the compound against chloroquine resistant Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389
IC99 (functional) = 42.2 uM In vitro antimalarial activity of the compound against chloroquine sensitive Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389
IC99 (functional) = 42.2 uM In vitro antimalarial activity of the compound against chloroquine sensitive Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389
IC99 (functional) = 48.7 uM In vitro antimalarial activity of the compound against chloroquine resistant Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389
IC99 (functional) = 48.7 uM In vitro antimalarial activity of the compound against chloroquine resistant Plasmodium falciparum by schizont maturation assay ChEMBL. 15713389

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 15713389

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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