Detailed information for compound 103493

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 193.242 | Formula: C11H15NO2
  • H donors: 2 H acceptors: 2 LogP: 1.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1ccccc1)(C(=O)NC)O
  • InChi: 1S/C11H15NO2/c1-3-11(14,10(13)12-2)9-7-5-4-6-8-9/h4-8,14H,3H2,1-2H3,(H,12,13)
  • InChiKey: DUGQFTUWFOVUPM-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 CMGC family protein kinase 0.0556 0.6521 1
Plasmodium falciparum protein kinase 5 0.0556 0.6521 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0556 0.6521 0.6521
Brugia malayi hypothetical protein 0.0394 0.4417 0.6774
Echinococcus granulosus cyclin dependent kinase 0.0556 0.6521 0.6521
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0556 0.6521 1
Trichomonas vaginalis CMGC family protein kinase 0.0556 0.6521 1
Echinococcus granulosus cyclin dependent kinase 1 0.0556 0.6521 0.6521
Schistosoma mansoni serine/threonine protein kinase 0.0556 0.6521 0.6521
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0556 0.6521 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0556 0.6521 1
Brugia malayi Protein kinase domain containing protein 0.0556 0.6521 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0556 0.6521 0.6521
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0556 0.6521 0.6521
Trypanosoma brucei cdc2-related kinase 1 0.0556 0.6521 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0556 0.6521 0.6521
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0556 0.6521 0.6521
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0556 0.6521 0.6521
Trypanosoma cruzi cdc2-related kinase 1 0.0556 0.6521 1
Onchocerca volvulus 0.0055 0 0.5
Echinococcus multilocularis cyclin dependent kinase 0.0556 0.6521 0.6521
Giardia lamblia Kinase, CMGC CDK 0.0556 0.6521 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0556 0.6521 0.6521
Entamoeba histolytica cell division protein kinase 2, putative 0.0556 0.6521 1
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Brugia malayi cell division control protein 2 homolog 0.0556 0.6521 1
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0824 1 1
Loa Loa (eye worm) hypothetical protein 0.0394 0.4417 0.4417
Trypanosoma cruzi cdc2-related kinase 3 0.0556 0.6521 1
Trypanosoma cruzi cdc2-related kinase 3 0.0556 0.6521 1
Trypanosoma brucei cdc2-related kinase 3 0.0556 0.6521 1
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0824 1 1
Loa Loa (eye worm) hypothetical protein 0.0394 0.4417 0.4417
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0556 0.6521 1
Schistosoma mansoni serine/threonine protein kinase 0.0556 0.6521 0.6521
Plasmodium vivax protein kinase Crk2 0.0556 0.6521 1
Giardia lamblia Kinase, CMGC CDK 0.0556 0.6521 1
Loa Loa (eye worm) hypothetical protein 0.055 0.6438 0.6438
Echinococcus granulosus cyclin dependent kinase 5 0.0556 0.6521 0.6521
Trypanosoma cruzi cdc2-related kinase 1 0.0556 0.6521 1
Trichomonas vaginalis CMGC family protein kinase 0.0556 0.6521 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) > 300 mg kg-1 Anticonvulsant activity was evaluated by metrazole-induced convulsion test and was determined 30 min after subcutaneous administration ChEMBL. 6694169
Activity (functional) = 300 mg kg-1 Anticonvulsant activity was evaluated by maximal electroshock induced convulsion test and was determined 30 min after subcutaneous administration ChEMBL. 6694169
Activity (ADMET) > 300 mg kg-1 Anticonvulsant activity was evaluated by rotorod toxicity test and was determined 30 min after subcutaneous administration ChEMBL. 6694169
No. of animals protected (functional) = 0 Number of animal protected out of 1 was evaluated by metrazole-induced convulsion test at 30 min after subcutaneous administration of >300 mg/kg ChEMBL. 6694169
No. of animals protected (functional) = 0 Number of animal protected out of 1 was evaluated by metrazole-induced convulsion test at 30 min after subcutaneous administration of >300 mg/kg ChEMBL. 6694169
No. of animals protected (functional) = 0 Number of animals protected out of 4 was evaluated by rotorod toxicity test and was determined 30 min t 30 min after subcutaneous administration of >300 mg/kg ChEMBL. 6694169
No. of animals protected (functional) = 1 Number of animals protected out of 1 was evaluated by maximal electroshock induced convulsion test at 30 min after subcutaneous administration of >300 mg/kg ChEMBL. 6694169

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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