Detailed information for compound 25640

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 255.312 | Formula: C16H17NO2
  • H donors: 1 H acceptors: 2 LogP: 0.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1cccc2c1cccc2)C/C=C/C(=O)O
  • InChi: 1S/C16H17NO2/c1-17(11-5-10-16(18)19)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-10H,11-12H2,1H3,(H,18,19)/b10-5+
  • InChiKey: QPWLQHTXRPQSRA-BJMVGYQFSA-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
Echinococcus granulosus a disintegrin and metalloproteinase with 0.1556 0.1861 0.214
Onchocerca volvulus Matrilysin homolog 0.3701 0.5112 1
Schistosoma mansoni hypothetical protein 0.2366 0.3088 0.6866
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.2032 0.2583 0.4597
Onchocerca volvulus 0.2366 0.3088 0.3431
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.6066 0.8699 1
Loa Loa (eye worm) matrixin family protein 0.4034 0.5618 0.5618
Brugia malayi Matrixin family protein 0.1668 0.2031 0.3616
Loa Loa (eye worm) hypothetical protein 0.1668 0.2031 0.2031
Loa Loa (eye worm) hypothetical protein 0.1668 0.2031 0.2031
Echinococcus multilocularis adam 0.0573 0.037 0.0426
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.3295 0.4498 1
Mycobacterium ulcerans hydrolase 0.2032 0.2583 0.5
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.1556 0.1861 0.3313
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.1668 0.2031 0.4516
Mycobacterium leprae PROBABLE HYDROLASE 0.2032 0.2583 0.5
Brugia malayi Matrixin family protein 0.1668 0.2031 0.3616
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.2032 0.2583 0.5
Brugia malayi Matrixin family protein 0.4034 0.5618 1
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.2068 0.2637 0.3031
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0573 0.037 0.0824
Echinococcus granulosus adam 17 protease 0.3624 0.4996 0.5743
Loa Loa (eye worm) matrix metalloproteinase 0.1668 0.2031 0.2031
Brugia malayi Matrixin family protein 0.1668 0.2031 0.3616
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.1556 0.1861 0.4138
Echinococcus granulosus adam 0.0573 0.037 0.0426
Onchocerca volvulus Matrix metalloproteinase homolog 0.3701 0.5112 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.6066 0.8699 1
Echinococcus multilocularis adam 17 protease 0.3295 0.4498 0.5171
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.1556 0.1861 0.214
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.2068 0.2637 0.3031
Loa Loa (eye worm) hypothetical protein 0.2032 0.2583 0.2583
Loa Loa (eye worm) hypothetical protein 0.1668 0.2031 0.2031
Loa Loa (eye worm) matrixin family protein 0.3701 0.5112 0.5112
Brugia malayi Matrixin family protein 0.1668 0.2031 0.3616
Brugia malayi Hemopexin family protein 0.2366 0.3088 0.5498
Brugia malayi hypothetical protein 0.0573 0.037 0.0659
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.1148 0.1242 0.2761

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) < 100 ug ml-1 Antifungal activity against Trichophyton mentagrophytes. ChEMBL. 3510297
MIC (functional) < 100 ug ml-1 Antifungal activity against Epidermophyton floccosum. ChEMBL. 3510297
MIC (functional) < 100 ug ml-1 Antifungal activity against Microsporum canis ChEMBL. 3510297
MIC (functional) < 100 ug ml-1 Antifungal activity measured against Aspergillus fumigatus ChEMBL. 3510297
MIC (functional) < 100 ug ml-1 Antifungal activity measured against Sporothrix schenck ii. ChEMBL. 3510297
MIC (functional) < 100 ug ml-1 Antifungal activity against Candida parapsilosis. ChEMBL. 3510297

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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