Detailed information for compound 776611

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.418 | Formula: C18H27FN2O
  • H donors: 1 H acceptors: 1 LogP: 2.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1CN(CCN1Cc1ccc(cc1)F)CC(=CC)C
  • InChi: 1S/C18H27FN2O/c1-3-15(2)12-20-9-10-21(18(14-20)8-11-22)13-16-4-6-17(19)7-5-16/h3-7,18,22H,8-14H2,1-2H3/b15-3+
  • InChiKey: MZIBWCINUDQGOC-CRKCGEKBSA-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 0.0027 0.0901 0.1636
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2057 0.1271
Loa Loa (eye worm) hypothetical protein 0.0067 0.3499 0.6353
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0901 0.1493
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0901 0.1636
Echinococcus granulosus tar DNA binding protein 0.0062 0.3172 0.3172
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3172 0.2496
Brugia malayi intermediate filament protein 0.0027 0.0901 0.1493
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2057 0.1271
Brugia malayi Latrophilin receptor protein 2 0.0031 0.1168 0.1986
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3172 0.2496
Schistosoma mansoni hypothetical protein 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.5507 1
Echinococcus multilocularis lamin dm0 0.0027 0.0901 0.0901
Loa Loa (eye worm) hypothetical protein 0.0031 0.1168 0.2121
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.1168 0.1168
Echinococcus granulosus lamin 0.0027 0.0901 0.0901
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.5507 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2057 0.2057
Schistosoma mansoni hypothetical protein 0.0031 0.1168 0.0294
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2057 0.1271
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3172 0.2496
Schistosoma mansoni hypothetical protein 0.0031 0.1168 0.0294
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0092 0.0168
Schistosoma mansoni hypothetical protein 0.0031 0.1168 0.0294
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.1168 0.1168
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.1168 0.1168
Echinococcus granulosus lamin dm0 0.0027 0.0901 0.0901
Loa Loa (eye worm) RNA binding protein 0.0062 0.3172 0.5761
Echinococcus multilocularis lamin 0.0027 0.0901 0.0901
Schistosoma mansoni hypothetical protein 0.0067 0.3499 0.2855
Schistosoma mansoni hypothetical protein 0.0031 0.1168 0.0294
Echinococcus multilocularis musashi 0.0027 0.0901 0.0901
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.5507 1
Echinococcus granulosus GPCR family 2 0.0031 0.1168 0.1168
Loa Loa (eye worm) hypothetical protein 0.0026 0.0869 0.1578
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2057 0.2057
Schistosoma mansoni hypothetical protein 0.0168 1 1
Brugia malayi TAR-binding protein 0.0062 0.3172 0.5689
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.2057 0.3736
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.2057 0.3629
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3172 0.2496
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3172 0.2496
Echinococcus multilocularis geminin 0.0168 1 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3172 0.3172
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3172 0.5761
Echinococcus granulosus intermediate filament protein 0.0027 0.0901 0.0901
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.5507 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.1168 0.1168
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.3499 0.6291
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.1168 0.1986
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2057 0.2057
Onchocerca volvulus 0.0027 0.0901 0.5
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0901 0.1636
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3172 0.5689
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.1168 0.2121
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2057 0.2057
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.1168 0.1168
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3172 0.5761
Onchocerca volvulus 0.0027 0.0901 0.5
Brugia malayi RNA binding protein 0.0062 0.3172 0.5689

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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