Detailed information for compound 2070277

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 331.385 | Formula: C18H22FN3O2
  • H donors: 0 H acceptors: 2 LogP: 1.9 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N(C1CCN(C1)Cc1ccccc1F)Cc1ncc(o1)C
  • InChi: 1S/C18H22FN3O2/c1-13-9-20-18(24-13)12-22(14(2)23)16-7-8-21(11-16)10-15-5-3-4-6-17(15)19/h3-6,9,16H,7-8,10-12H2,1-2H3
  • InChiKey: YHNRIYQWQSKWOJ-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
Echinococcus multilocularis geminin 0.0095 1 1
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0048 0.4717 0.4715
Schistosoma mansoni ryanodine receptor related 0.0059 0.5943 0.5941
Onchocerca volvulus 0.0009 0.0395 0.5
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0073 0.7548 0.7546
Leishmania major hypothetical protein, conserved 0.0034 0.3136 1
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0059 0.5943 0.6306
Loa Loa (eye worm) ryanodine receptor 0.0016 0.1141 0.1977
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0009
Entamoeba histolytica MIR domain protein 0.0009 0.0395 1
Loa Loa (eye worm) MIR domain-containing protein 0.0009 0.0395 0.0685
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0066 0.6758 0.5
Echinococcus multilocularis stromal cell derived factor 2 0.0009 0.0395 0.039
Brugia malayi cation channel family protein 0.009 0.9422 1
Brugia malayi MIR domain containing protein 0.0009 0.0395 0.0414
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0016 0.1141 0.1136
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0009
Trichomonas vaginalis mannosyltransferase 1, putative 0.0009 0.0395 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0006 0.0005 1
Schistosoma mansoni hypothetical protein 0.0095 1 1
Schistosoma mansoni hypothetical protein 0.0095 1 1
Mycobacterium ulcerans epoxide hydrolase EphA 0.0066 0.6758 0.5
Echinococcus multilocularis ryanodine receptor 44f 0.0042 0.4069 0.4066
Echinococcus granulosus ryanodine receptor 44f 0.0042 0.4069 0.4066
Giardia lamblia MRP-like ABC transporter 0.0006 0.0005 1
Echinococcus multilocularis ryanodine receptor 44f 0.0033 0.3015 0.3011
Loa Loa (eye worm) hypothetical protein 0.0057 0.5771 1
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0009 0.0395 0.039
Loa Loa (eye worm) hypothetical protein 0.0042 0.4069 0.705
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0006 0.0005 0.5
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0006 0.0005 0.0009
Loa Loa (eye worm) hypothetical protein 0.0056 0.565 0.979
Echinococcus granulosus stromal cell derived factor 2 0.0009 0.0395 0.039
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.005 0.4913 1
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.005 0.4913 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.4717 0.8174
Echinococcus granulosus ryanodine receptor 44f 0.0033 0.3015 0.3011
Giardia lamblia Multidrug resistance-associated protein 1 0.0006 0.0005 1
Giardia lamblia ABC transporter, putative 0.0006 0.0005 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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