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  

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