Detailed information for compound 1754722

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 478.558 | Formula: C27H31FN4O3
  • H donors: 1 H acceptors: 2 LogP: 3.69 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1CCCCN1Cc1ccc2c(c1)CN(CCO2)Cc1c[nH]nc1c1ccc(cc1)F
  • InChi: 1S/C27H31FN4O3/c1-34-27(33)24-4-2-3-11-32(24)16-19-5-10-25-21(14-19)17-31(12-13-35-25)18-22-15-29-30-26(22)20-6-8-23(28)9-7-20/h5-10,14-15,24H,2-4,11-13,16-18H2,1H3,(H,29,30)
  • InChiKey: UTCBABJKXWRBCA-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
Onchocerca volvulus 0.0076 0.1089 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0076 0.1089 0.5
Brugia malayi Carboxylesterase family protein 0.0076 0.1089 0.1089
Onchocerca volvulus 0.0076 0.1089 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.1089 0.1089
Loa Loa (eye worm) acetylcholinesterase 1 0.0451 1 1
Brugia malayi Carboxylesterase family protein 0.0076 0.1089 0.1089
Mycobacterium tuberculosis Carboxylesterase LipT 0.0076 0.1089 0.5
Onchocerca volvulus 0.0076 0.1089 1
Echinococcus multilocularis carboxylesterase 5A 0.0451 1 1
Echinococcus granulosus plexin a4 0.0086 0.1323 0.1323
Onchocerca volvulus 0.0073 0.1006 0.9238
Echinococcus granulosus acetylcholinesterase 0.0451 1 1
Loa Loa (eye worm) hypothetical protein 0.0451 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0076 0.1089 0.5
Echinococcus granulosus acetylcholinesterase 0.0451 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0076 0.1089 0.1089
Brugia malayi Carboxylesterase family protein 0.0451 1 1
Echinococcus granulosus para nitrobenzyl esterase 0.0076 0.1089 0.1089
Loa Loa (eye worm) hypothetical protein 0.0076 0.1089 0.1089
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0076 0.1089 0.1089
Loa Loa (eye worm) hypothetical protein 0.0076 0.1089 0.1089
Loa Loa (eye worm) hypothetical protein 0.0451 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0076 0.1089 0.1089
Brugia malayi plexin A 0.0086 0.1323 0.1323
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0076 0.1089 0.5
Loa Loa (eye worm) carboxylesterase 0.0076 0.1089 0.1089
Schistosoma mansoni plexin 0.0042 0.0284 0.0284
Echinococcus multilocularis para nitrobenzyl esterase 0.0076 0.1089 0.1089
Schistosoma mansoni acetylcholinesterase 0.0076 0.1089 0.1089
Echinococcus multilocularis acetylcholinesterase 0.0451 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.1089 0.1089
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0076 0.1089 0.1089
Mycobacterium ulcerans carboxylesterase, LipT 0.0076 0.1089 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0451 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0076 0.1089 0.1089
Brugia malayi Carboxylesterase family protein 0.0076 0.1089 0.1089
Onchocerca volvulus 0.0076 0.1089 1
Onchocerca volvulus 0.0076 0.1089 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.1089 0.1089
Echinococcus granulosus BC026374 protein S09 family 0.0076 0.1089 0.1089
Schistosoma mansoni plexin 0.0073 0.1006 0.1006
Loa Loa (eye worm) hypothetical protein 0.0042 0.0284 0.0284
Schistosoma mansoni hypothetical protein 0.0042 0.0284 0.0284
Echinococcus multilocularis neuroligin 0.0076 0.1089 0.1089
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0076 0.1089 0.1089
Loa Loa (eye worm) carboxylesterase 0.0076 0.1089 0.1089
Schistosoma mansoni gliotactin 0.0076 0.1089 0.1089
Loa Loa (eye worm) hypothetical protein 0.0076 0.1089 0.1089
Schistosoma mansoni neuroligin 3 (S09 family) 0.0076 0.1089 0.1089
Echinococcus multilocularis plexin a4 0.0086 0.1323 0.1323
Loa Loa (eye worm) plexin A 0.0086 0.1323 0.1323
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0076 0.1089 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0076 0.1089 0.1089
Echinococcus multilocularis acetylcholinesterase 0.0451 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1006 0.1006
Brugia malayi hypothetical protein 0.0076 0.1089 0.1089
Loa Loa (eye worm) hypothetical protein 0.0076 0.1089 0.1089
Echinococcus granulosus neuroligin 0.0076 0.1089 0.1089
Brugia malayi Plexin repeat family protein 0.0073 0.1006 0.1006
Brugia malayi Carboxylesterase family protein 0.0076 0.1089 0.1089
Loa Loa (eye worm) carboxylesterase 0.0451 1 1
Echinococcus granulosus carboxylesterase 5A 0.0451 1 1

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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