Detailed information for compound 1721760

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 293.36 | Formula: C19H19NO2
  • H donors: 0 H acceptors: 1 LogP: 2.82 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC2N1CCc1c2ccc(c1)OCc1ccccc1
  • InChi: 1S/C19H19NO2/c21-19-9-8-18-17-7-6-16(12-15(17)10-11-20(18)19)22-13-14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2
  • InChiKey: RASOTBQGKYZYRM-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
Trichomonas vaginalis spcc417.12 protein, putative 0.0279 0.1335 1
Loa Loa (eye worm) hypothetical protein 0.0279 0.1335 0.1335
Schistosoma mansoni neuroligin 3 (S09 family) 0.0279 0.1335 0.1335
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0134 0.042 0.0193
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0279 0.1335 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0279 0.1335 0.1335
Echinococcus granulosus BC026374 protein S09 family 0.0279 0.1335 0.113
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0134 0.042 0.0236
Schistosoma mansoni BC026374 protein (S09 family) 0.0279 0.1335 0.1335
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0134 0.042 1
Onchocerca volvulus 0.0279 0.1335 1
Echinococcus granulosus acetylcholinesterase 0.165 1 1
Brugia malayi Carboxylesterase family protein 0.0279 0.1335 0.113
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0134 0.042 0.0193
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0279 0.1335 0.1169
Trypanosoma cruzi Aminopeptidase M1, putative 0.0104 0.0231 0.5508
Brugia malayi Peptidase family M1 containing protein 0.0134 0.042 0.0193
Brugia malayi Carboxylesterase family protein 0.0279 0.1335 0.113
Echinococcus granulosus para nitrobenzyl esterase 0.0279 0.1335 0.113
Brugia malayi Carboxylesterase family protein 0.165 1 1
Loa Loa (eye worm) hypothetical protein 0.165 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0279 0.1335 0.1335
Loa Loa (eye worm) hypothetical protein 0.0279 0.1335 0.1335
Loa Loa (eye worm) hypothetical protein 0.0279 0.1335 0.1335
Echinococcus granulosus acetylcholinesterase 0.165 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0134 0.042 0.0193
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0104 0.0231 0.0231
Entamoeba histolytica aminopeptidase, putative 0.0134 0.042 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0279 0.1335 0.1169
Mycobacterium ulcerans carboxylesterase, LipT 0.0279 0.1335 1
Schistosoma mansoni acetylcholinesterase 0.0279 0.1335 0.1335
Loa Loa (eye worm) acetylcholinesterase 1 0.165 1 1
Loa Loa (eye worm) carboxylesterase 0.0279 0.1335 0.1335
Onchocerca volvulus 0.0279 0.1335 1
Echinococcus multilocularis acetylcholinesterase 0.165 1 1
Brugia malayi hypothetical protein 0.0279 0.1335 0.113
Loa Loa (eye worm) hypothetical protein 0.0279 0.1335 0.1335
Brugia malayi Carboxylesterase family protein 0.0279 0.1335 0.113
Loa Loa (eye worm) aminopeptidase N 0.0134 0.042 0.042
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0279 0.1335 0.1335
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0134 0.042 0.0236
Onchocerca volvulus 0.0279 0.1335 1
Onchocerca volvulus 0.0279 0.1335 1
Brugia malayi Carboxylesterase family protein 0.0279 0.1335 0.113
Onchocerca volvulus 0.0279 0.1335 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0134 0.042 0.0236
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.165 1 1
Echinococcus granulosus carboxylesterase 5A 0.165 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0134 0.042 0.0236
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0134 0.042 0.0193
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0134 0.042 0.0236
Schistosoma mansoni gliotactin 0.0279 0.1335 0.1335
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0134 0.042 0.0236
Echinococcus multilocularis neuroligin 0.0279 0.1335 0.1169
Echinococcus multilocularis carboxylesterase 5A 0.165 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0279 0.1335 1
Loa Loa (eye worm) hypothetical protein 0.165 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0279 0.1335 0.1169
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0134 0.042 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0279 0.1335 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0279 0.1335 0.113
Trypanosoma cruzi aminopeptidase, putative 0.0134 0.042 1
Echinococcus multilocularis aminopeptidase N 0.0104 0.0231 0.0043
Echinococcus granulosus neuroligin 0.0279 0.1335 0.113
Loa Loa (eye worm) carboxylesterase 0.165 1 1
Loa Loa (eye worm) hypothetical protein 0.0279 0.1335 0.1335
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0134 0.042 1
Echinococcus multilocularis acetylcholinesterase 0.165 1 1
Loa Loa (eye worm) hypothetical protein 0.0279 0.1335 0.1335
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0279 0.1335 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0134 0.042 0.042
Loa Loa (eye worm) carboxylesterase 0.0279 0.1335 0.1335
Loa Loa (eye worm) hypothetical protein 0.0279 0.1335 0.1335

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 0 mm Bactericidal activity against Escherichia coli CECT 100 at 0.2 mg/disk after 24 hrs by agar diffusion assay ChEMBL. 23062823

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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