Detailed information for compound 972938

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 371.341 | Formula: C19H17NO7
  • H donors: 2 H acceptors: 5 LogP: 0.62 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C/C=C/C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@]([C@@H]2O)(OC)C(=O)c1ccccc1
  • InChi: 1S/C19H17NO7/c1-11-13(9-6-10-21)27-18(14(11)22)16(24)19(26-2,20-17(18)25)15(23)12-7-4-3-5-8-12/h3-10,16,24H,1-2H3,(H,20,25)/b9-6+/t16-,18-,19-/m1/s1
  • InChiKey: ZMDFBVNQZRCJKR-XENMDSHASA-N  


Substructure search Similarity search

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
Giardia lamblia Kinase, CMGC CDK 0.0202 1 1
Mycobacterium ulcerans hypothetical protein 0.0122 0.5516 0.599
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0174 0.8422 0.5
Mycobacterium tuberculosis Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0164 0.7842 1
Brugia malayi Protein kinase domain containing protein 0.0202 1 1
Trypanosoma brucei cdc2-related kinase 1 0.0202 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0202 1 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0202 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0202 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0202 1 1
Echinococcus granulosus cyclin dependent kinase 1 0.0202 1 1
Trypanosoma brucei cdc2-related kinase 3 0.0202 1 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0202 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0202 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0202 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0202 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0202 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0202 1 1
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0188 0.921 1
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0188 0.921 0.5
Trypanosoma cruzi cdc2-related kinase 3 0.0202 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0202 1 1
Giardia lamblia Kinase, CMGC CDK 0.0202 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0202 1 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0202 1 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0202 1 1
Loa Loa (eye worm) hypothetical protein 0.02 0.9879 0.9879
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0202 1 1
Plasmodium falciparum protein kinase 5 0.0202 1 1
Plasmodium vivax protein kinase Crk2 0.0202 1 1
Treponema pallidum hypothetical protein 0.0188 0.921 0.5
Echinococcus multilocularis cyclin dependent kinase 0.0202 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0202 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0202 1 1
Echinococcus granulosus cyclin dependent kinase 5 0.0202 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0202 1 1
Echinococcus granulosus cyclin dependent kinase 0.0202 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0202 1 1
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0188 0.921 0.5
Echinococcus multilocularis cyclin dependent kinase 5 0.0202 1 1

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.

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