Detailed information for compound 1713303

Basic information

Technical information
  • TDR Targets ID: 1713303
  • Name: 2-methoxy-N-[9-(phenylmethyl)-9-azabicyclo[3. 3.1]nonan-7-yl]benzamide
  • MW: 364.481 | Formula: C23H28N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
  • InChi: 1S/C23H28N2O2/c1-27-22-13-6-5-12-21(22)23(26)24-18-14-19-10-7-11-20(15-18)25(19)16-17-8-3-2-4-9-17/h2-6,8-9,12-13,18-20H,7,10-11,14-16H2,1H3,(H,24,26)
  • InChiKey: LIEKUNYYPLIGRD-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[9-(benzyl)-9-azabicyclo[3.3.1]nonan-7-yl]-2-methoxy-benzamide
  • ASN 06223681
  • N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-2-methoxy-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0119 0.01 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0618 0.0665 0.0638
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0618 0.0665 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0119 0.01 0.0072
Trichomonas vaginalis PIKK family atypical protein kinase 0.023 0.0225 0.2219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0388 0.0405 0.6091
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0028 0.0422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.036 0.4601
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0618 0.0665 0.1841
Toxoplasma gondii FATC domain-containing protein 0.0348 0.036 0.5414
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0119 0.01 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Loa Loa (eye worm) hypothetical protein 0.0348 0.036 0.5414
Echinococcus granulosus geminin 0.0166 0.0154 0.0126
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.01 0.1505
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0348 0.036 0.0333
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0119 0.01 0.1505
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.01 0.1505
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0119 0.01 0.1505
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0119 0.01 0.1131
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.023 0.0225 0.0648
Loa Loa (eye worm) phosphatidylinositol 3 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0388 0.0405 0.5399
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.01 0.1505
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0119 0.01 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0119 0.01 0.0288
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0119 0.01 0.1505
Leishmania major hypothetical protein, conserved 0.322 0.361 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0119 0.01 0.0277
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0119 0.01 0.0072
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0618 0.0665 0.1841
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0119 0.01 0.1505
Leishmania major phosphatidylinositol 4-kinase, putative 0.0119 0.01 0.0277
Schistosoma mansoni hypothetical protein 0.0269 0.027 0.3806
Leishmania major phosphatidylinositol 3-kinase, putative 0.0618 0.0665 0.1841
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.036 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0388 0.0405 0.6091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.036 0.4601
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.01 0.1505
Plasmodium vivax hypothetical protein, conserved 0.0119 0.01 1
Loa Loa (eye worm) hypothetical protein 0.023 0.0225 0.339
Onchocerca volvulus 0.0119 0.01 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0119 0.01 0.1505
Leishmania major phosphatidylinositol kinase related protein, putative 0.0119 0.01 0.0277
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.01 0.1505
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0119 0.01 0.1131
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0618 0.0665 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0618 0.0665 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0119 0.01 0.0288
Schistosoma mansoni fkbp-rapamycin associated protein 0.0348 0.036 0.5212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0119 0.01 0.0072
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0119 0.01 0.0072
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0618 0.0665 0.0638
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0618 0.0665 0.0638
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0119 0.01 0.0072
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Brugia malayi FAT domain containing protein 0.0269 0.027 0.4068
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0348 0.036 0.1035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0119 0.01 1
Onchocerca volvulus 0.0119 0.01 0.5
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0119 0.01 0.0072
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0119 0.01 0.1131
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.036 0.4601
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0348 0.036 0.5414
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0028 0.0422
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.01 0.1505
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0119 0.01 0.1505
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.036 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0269 0.027 0.0243
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0119 0.01 0.1505
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.01 0.1505
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0269 0.027 0.0243
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Mycobacterium leprae conserved hypothetical protein 0.0119 0.01 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0119 0.01 0.0288
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0119 0.01 0.1505
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0618 0.0665 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0618 0.0665 1
Echinococcus multilocularis 0.0119 0.01 0.0072
Echinococcus multilocularis geminin 0.0166 0.0154 0.0126
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0348 0.036 0.5414
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Schistosoma mansoni hypothetical protein 0.0166 0.0154 0.1972
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0119 0.01 0.0288
Loa Loa (eye worm) phosphatidylinositol 3 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0119 0.01 0.5
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0119 0.01 0.1131
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0348 0.036 0.1035
Plasmodium vivax hypothetical protein 0.0119 0.01 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.01 0.1505
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0119 0.01 0.0072
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0348 0.036 0.5414
Schistosoma mansoni hypothetical protein 0.0119 0.01 0.1131
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0119 0.01 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0119 0.01 0.0072
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0618 0.0665 0.1841
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0119 0.01 0.1505
Loa Loa (eye worm) hypothetical protein 0.0269 0.027 0.4068
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0618 0.0665 0.1913
Loa Loa (eye worm) hypothetical protein 0.0388 0.0405 0.6091
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0795 0.0865 0.084
Echinococcus granulosus serine protein kinase ATM 0.0348 0.036 0.0333
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0119 0.01 0.1131
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0618 0.0665 0.1913
Echinococcus multilocularis serine protein kinase ATM 0.0348 0.036 0.0333
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0618 0.0665 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0618 0.0665 1
Entamoeba histolytica protein kinase rad3, putative 0.0348 0.036 0.4601
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0119 0.01 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0618 0.0665 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0119 0.01 0.0288
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0119 0.01 0.0072
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0119 0.01 0.0072
Loa Loa (eye worm) hypothetical protein 0.0119 0.01 0.1505
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.8867 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.036 0.4601
Trypanosoma cruzi hypothetical protein, conserved 0.3101 0.3475 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0119 0.01 0.0288
Trypanosoma cruzi target of rapamycin kinase 3 0.0618 0.0665 0.1913
Loa Loa (eye worm) phosphatidylinositol kinase 0.0119 0.01 0.1505
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0348 0.036 0.0333
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.036 0.4601
Schistosoma mansoni hypothetical protein 0.0166 0.0154 0.1972
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0119 0.01 0.0072
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0119 0.01 0.0288
Trichomonas vaginalis conserved hypothetical protein 0.0269 0.027 0.3017
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0618 0.0665 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0119 0.01 0.0072
Leishmania major phosphatidylinositol kinase, putative 0.0119 0.01 0.0277
Trichomonas vaginalis conserved hypothetical protein 0.0388 0.0405 0.5399
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0618 0.0665 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0618 0.0665 0.1913
Entamoeba histolytica hypothetical protein 0.0348 0.036 0.4601
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0348 0.036 0.5212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0119 0.01 0.0288
Leishmania major hypothetical protein, unknown function 0.0119 0.01 0.0277
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0119 0.01 0.1505
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0348 0.036 0.4601
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0119 0.01 0.1131
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.036 0.4601
Trichomonas vaginalis conserved hypothetical protein 0.023 0.0225 0.2219
Giardia lamblia GTOR 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0119 0.01 0.0072
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0119 0.01 0.0288
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0119 0.01 0.0288
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0119 0.01 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0618 0.0665 0.1841
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0618 0.0665 0.0638
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0119 0.01 0.1131
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.01 0.1505
Loa Loa (eye worm) hypothetical protein 0.0119 0.01 0.1505
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0119 0.01 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.01 0.1505
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0119 0.01 0.1505
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0618 0.0665 0.1913
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.0665 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.01 0.1505
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0119 0.01 0.1505

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.