TDR Targets

Basic information

Technical information

TDR Targets ID: 1063192
Name: 2-methoxy-N-(9-propyl-9-azabicyclo[3.3.1]nona n-7-yl)benzamide
MW: 316.438 | Formula: C19H28N2O2
H donors: 1 H acceptors: 1 LogP: 3.63 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCN1C2CCCC1CC(C2)NC(=O)c1ccccc1OC
InChi: 1S/C19H28N2O2/c1-3-11-21-15-7-6-8-16(21)13-14(12-15)20-19(22)17-9-4-5-10-18(17)23-2/h4-5,9-10,14-16H,3,6-8,11-13H2,1-2H3,(H,20,22)
InChiKey: DJYXEICHUGNMFJ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

2-Methoxy-N-(9-propyl-9-aza-bicyclo[3.3.1]non-3-yl)-benzamide
ASN 06222574

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

Ranking Plot

Putative Targets List

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

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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

ChEMBL: CHEMBL1864787

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.

Detailed information for compound 1063192