Detailed information for compound 1256313

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 295.765 | Formula: C14H18ClN3O2
  • H donors: 2 H acceptors: 2 LogP: 2.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(CC1)NC(=O)C(=O)Nc1ccc(cc1)Cl
  • InChi: 1S/C14H18ClN3O2/c1-18-8-6-12(7-9-18)17-14(20)13(19)16-11-4-2-10(15)3-5-11/h2-5,12H,6-9H2,1H3,(H,16,19)(H,17,20)
  • InChiKey: MLUMDIWFHHGUOK-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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0128 0.0819 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0128 0.0819 0.1492
Trypanosoma brucei CAAX amino terminal protease, putative 0.0284 0.3275 0.5
Brugia malayi CAAX amino terminal protease family protein 0.0284 0.3275 0.7773
Schistosoma mansoni aldehyde dehydrogenase 0.0128 0.0819 0.1492
Loa Loa (eye worm) hypothetical protein 0.0104 0.0446 0.0221
Brugia malayi hypothetical protein 0.0265 0.2982 0.7077
Toxoplasma gondii aldehyde dehydrogenase 0.0128 0.0819 0.5
Schistosoma mansoni aryl hydrocarbon receptor 0.0102 0.0419 0.0106
Schistosoma mansoni cellular tumor antigen P53 0.0104 0.0446 0.0199
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.0819 1
Echinococcus multilocularis survival motor neuron protein 1 0.0265 0.2982 0.2982
Schistosoma mansoni lipoxygenase 0.017 0.1486 0.3804
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0284 0.3275 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.2982 0.6803
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0284 0.3275 1
Brugia malayi hypothetical protein 0.0344 0.4213 1
Schistosoma mansoni single-minded 0.0102 0.0419 0.0106
Loa Loa (eye worm) hypothetical protein 0.0284 0.3275 0.7564
Brugia malayi PAS domain containing protein 0.0102 0.0419 0.0994
Echinococcus multilocularis CAAX prenyl protease 2 0.0284 0.3275 0.3275
Echinococcus granulosus CAAX prenyl protease 2 0.0284 0.3275 0.3275
Loa Loa (eye worm) hypothetical protein 0.0344 0.4213 1
Entamoeba histolytica CAAX prenyl protease family 0.0284 0.3275 0.5
Onchocerca volvulus 0.0104 0.0446 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.017 0.1486 0.1486
Echinococcus multilocularis tumor protein p63 0.0712 1 1
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0284 0.3275 1
Giardia lamblia Hypothetical protein 0.0284 0.3275 0.5
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0284 0.3275 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0265 0.2982 0.2982
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.0819 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0128 0.0819 1
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0284 0.3275 0.5
Brugia malayi hypoxia-induced factor 1 0.0317 0.3795 0.9006
Brugia malayi Cytochrome P450 family protein 0.0099 0.0361 0.0856
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0128 0.0819 0.0819
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0284 0.3275 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.017 0.1486 0.1486
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0128 0.0819 0.0819
Loa Loa (eye worm) hypoxia-induced factor 1 0.0317 0.3795 0.8913

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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