Detailed information for compound 279359

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 216.279 | Formula: C13H16N2O
  • H donors: 1 H acceptors: 1 LogP: 2.49 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)C(=O)NN1CCC=CC1
  • InChi: 1S/C13H16N2O/c1-11-6-5-7-12(10-11)13(16)14-15-8-3-2-4-9-15/h2-3,5-7,10H,4,8-9H2,1H3,(H,14,16)
  • InChiKey: FGOOICOCUWHSTK-UHFFFAOYSA-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
Loa Loa (eye worm) hypothetical protein 0.0103 0.0528 0.055
Echinococcus granulosus carboxylesterase 5A 0.0608 0.4444 1
Loa Loa (eye worm) carboxylesterase 0.0608 0.4444 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0103 0.0528 0.055
Mycobacterium ulcerans carboxylesterase, LipT 0.0103 0.0528 1
Echinococcus multilocularis carboxylesterase 5A 0.0608 0.4444 1
Onchocerca volvulus 0.0103 0.0528 0.0235
Echinococcus multilocularis neuroligin 0.0103 0.0528 0.0006
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0103 0.0528 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0103 0.0528 0.055
Plasmodium vivax telomerase reverse transcriptase, putative 0.0362 0.2536 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0103 0.0528 0.055
Brugia malayi Carboxylesterase family protein 0.0103 0.0528 0.0331
Loa Loa (eye worm) hypothetical protein 0.0103 0.0528 0.055
Loa Loa (eye worm) cytochrome c type-1 0.0102 0.0526 0.0545
Echinococcus multilocularis BC026374 protein (S09 family) 0.0103 0.0528 0.0006
Echinococcus multilocularis acetylcholinesterase 0.0608 0.4444 1
Onchocerca volvulus 0.0103 0.0528 0.0235
Toxoplasma gondii RNA-directed DNA polymerase 0.0362 0.2536 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0528 0.055
Onchocerca volvulus 0.0103 0.0528 0.0235
Loa Loa (eye worm) hypothetical protein 0.0608 0.4444 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0103 0.0528 0.055
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0103 0.0528 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.0528 0.055
Loa Loa (eye worm) acetylcholinesterase 1 0.0608 0.4444 1
Plasmodium vivax cytochrome c, putative 0.0102 0.0526 0.2073
Wolbachia endosymbiont of Brugia malayi cytochrome c2 0.0102 0.0526 0.5
Loa Loa (eye worm) carboxylesterase 0.0103 0.0528 0.055
Echinococcus granulosus acetylcholinesterase 0.0608 0.4444 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0528 0.055
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0362 0.2536 1
Brugia malayi Carboxylesterase family protein 0.0608 0.4444 0.601
Plasmodium falciparum cytochrome c, putative 0.0102 0.0526 0.2073
Brugia malayi Carboxylesterase family protein 0.0103 0.0528 0.0331
Trypanosoma brucei telomerase reverse transcriptase 0.0362 0.2536 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0103 0.0528 0.5
Onchocerca volvulus 0.0103 0.0528 0.0235
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0608 0.4444 1
Brugia malayi Carboxylesterase family protein 0.0103 0.0528 0.0331
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0103 0.0528 0.055
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0103 0.0528 0.0006
Loa Loa (eye worm) carboxylesterase 0.0103 0.0528 0.055
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0362 0.2536 1
Plasmodium falciparum telomerase reverse transcriptase 0.0362 0.2536 1
Onchocerca volvulus 0.0103 0.0528 0.0235
Loa Loa (eye worm) hypothetical protein 0.0103 0.0528 0.055
Loa Loa (eye worm) hypothetical protein 0.0608 0.4444 1
Schistosoma mansoni cytochrome c 0.0102 0.0526 0.0545
Giardia lamblia Telomerase catalytic subunit 0.0362 0.2536 0.5
Echinococcus granulosus neuroligin 0.0103 0.0528 0.0006
Brugia malayi Telomerase reverse transcriptase 0.0963 0.7195 1
Schistosoma mansoni acetylcholinesterase 0.0103 0.0528 0.055
Echinococcus multilocularis acetylcholinesterase 0.0608 0.4444 1
Brugia malayi hypothetical protein 0.0103 0.0528 0.0331
Echinococcus multilocularis para nitrobenzyl esterase 0.0103 0.0528 0.0006
Echinococcus granulosus para nitrobenzyl esterase 0.0103 0.0528 0.0006
Leishmania major telomerase reverse transcriptase, putative 0.0362 0.2536 1
Brugia malayi Carboxylesterase family protein 0.0103 0.0528 0.0331
Brugia malayi Carboxylesterase family protein 0.0608 0.4444 0.601
Mycobacterium leprae Probable Ubiquinol-cytochrome C reductase QcrC (cytochrome C subunit) 0.0035 0 0.5
Toxoplasma gondii cytochrome c, putative 0.0102 0.0526 0.2073
Echinococcus granulosus BC026374 protein S09 family 0.0103 0.0528 0.0006
Echinococcus granulosus acetylcholinesterase 0.0608 0.4444 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0528 0.055
Trichomonas vaginalis spcc417.12 protein, putative 0.0103 0.0528 0.5
Brugia malayi Cytochrome c type-1 0.0102 0.0526 0.0328
Schistosoma mansoni gliotactin 0.0103 0.0528 0.055
Mycobacterium tuberculosis Carboxylesterase LipT 0.0103 0.0528 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0103 0.0528 0.0006

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = 50 % Percentage change in blood glucose concentration in male Wistar rats after 2 hr post treatment at a dose of 30 mg/Kg po; Hyperglycemic ChEMBL. 7097725
Change (functional) = 50 % Percentage change in blood glucose concentration in male Wistar rats after 4 hr post treatment at a dose of 30 mg/Kg po; Hyperglycemic ChEMBL. 7097725
Change (functional) = 108.5 % Percentage change in blood glucose concentration in male Wistar rats after 4 hr post treatment at a dose of 100 mg/Kg po. ChEMBL. 7097725
Change (functional) = 117.2 % Percentage change in blood glucose concentration in male Wistar rats after 2 hr post treatment at a dose of 100 mg/Kg po. ChEMBL. 7097725
Inhibition (functional) = 50 % Analgesic activity was measured by phenylquinone writhing test in male Swiss albino mice at a dose of 0.0004 mg/Kg, sc ChEMBL. 7097725
Inhibition (functional) = 50 % Analgesic activity was measured by phenylquinone writhing test in male Swiss albino mice at a dose of 17 mg/Kg, sc ChEMBL. 7097725
Inhibition (functional) = 56 % Analgesic activity was measured by phenylquinone writhing test in male Swiss albino mice at a dose of 0.004 mg/Kg, sc ChEMBL. 7097725
Inhibition (functional) = 56 % Analgesic activity was measured by phenylquinone writhing test in male Swiss albino mice at a dose of 0.004 mg/Kg, sc ChEMBL. 7097725
P = 58.8 Partition coefficient was evaluated for the compound in octanol/water system ChEMBL. 7097725

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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