Detailed information for compound 1162787

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.455 | Formula: C22H27NO2
  • H donors: 0 H acceptors: 0 LogP: 4.04 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@@H]1CC2N(C1C[C@H](C2)OC(c1ccccc1)c1ccccc1)C
  • InChi: 1S/C22H27NO2/c1-23-18-13-19(15-20(23)21(14-18)24-2)25-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-22H,13-15H2,1-2H3/t18?,19-,20?,21+/m0/s1
  • InChiKey: ODOVOZRQRRUTGF-KWJLTHHISA-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 Glutamate receptor ionotropic kainate 2 0.0109 0.1474 0.1474
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1119 0.116
Echinococcus multilocularis serotonin transporter 0.0109 0.1493 0.1493
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0109 0.1474 0.1474
Schistosoma mansoni sodium/chloride dependent transporter 0.0109 0.1493 0.1563
Loa Loa (eye worm) glutamate receptor 2 0.0085 0.0718 0.2143
Loa Loa (eye worm) norepinephrine transporter 0.0109 0.1493 0.8888
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0109 0.1474 0.1474
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0084 0.0691 0.1012
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0109 0.1474 0.1474
Brugia malayi Glutamate receptor 2 precursor 0.0085 0.0718 0.2143
Schistosoma mansoni ATP-binding cassette transporter 0.0085 0.0718 0.0727
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.1119 0.563
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0044 0.0044
Echinococcus granulosus glutamate receptor 2 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1493 0.8888
Echinococcus multilocularis nmda type glutamate receptor 0.0269 0.6582 0.6582
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.1119 0.1119
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0131 0.2165 0.2165
Schistosoma mansoni hypothetical protein 0.0078 0.0472 0.0462
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0264 0.6434 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0109 0.1493 0.8888
Echinococcus multilocularis glutamate receptor NMDA 0.0245 0.5826 0.5826
Chlamydia trachomatis glutamine binding protein 0.0084 0.0691 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0085 0.0718 0.0727
Schistosoma mansoni glutamate receptor kainate 0.0085 0.0718 0.0727
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.1621 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0085 0.0718 0.0718
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0084 0.0691 1
Echinococcus granulosus geminin 0.0193 0.416 0.416
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.1119 0.1119
Loa Loa (eye worm) glutamate receptor 1 0.0085 0.0718 0.2143
Schistosoma mansoni glutamate receptor kainate 0.0085 0.0718 0.0727
Onchocerca volvulus 0.0109 0.1493 0.5
Brugia malayi Glutamate receptor 1 precursor 0.0085 0.0718 0.2143
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.1621 1
Echinococcus multilocularis glutamate receptor 2 0.0109 0.1474 0.1474
Loa Loa (eye worm) serotonin transporter b 0.0109 0.1493 0.8888
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0193 0.416 0.4442
Echinococcus multilocularis nmda type glutamate receptor 0.0376 1 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1493 0.8888
Treponema pallidum sodium- and chloride- dependent transporter 0.0109 0.1493 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0109 0.1474 0.1474
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1119 0.116
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.1621 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0044 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.1493 0.8888
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.1119 0.1119
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0044 0.5
Schistosoma mansoni hypothetical protein 0.0193 0.416 0.4442
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0109 0.1474 0.1474
Schistosoma mansoni glutamate receptor NMDA 0.0354 0.9309 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0109 0.1493 0.8888
Schistosoma mansoni glutamate receptor AMPA 0.0085 0.0718 0.0727
Schistosoma mansoni glutamate receptor AMPA 0.0085 0.0718 0.0727
Echinococcus granulosus serotonin transporter 0.0109 0.1493 0.1493
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0109 0.1474 0.1474
Echinococcus granulosus nmda type glutamate receptor 0.0269 0.6582 0.6582
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0113 0.1621 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.1119 0.563
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.1119 0.1119
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0109 0.1493 0.1563
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0084 0.0691 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1119 0.116
Schistosoma mansoni glutamate receptor kainate 0.0085 0.0718 0.0727
Echinococcus multilocularis glutamate receptor 2 0.0085 0.0718 0.0718
Echinococcus granulosus glutamate NMDA receptor subunit 0.0085 0.0718 0.0718
Echinococcus granulosus glutamate receptor NMDA 0.0245 0.5826 0.5826
Echinococcus multilocularis geminin 0.0193 0.416 0.416

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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