TDR Targets

Basic information

Technical information

TDR Targets ID: 1484036
Name: 2-methyl-N-[8-(phenylmethyl)-8-azabicyclo[3.2 .1]octan-3-yl]benzamide
MW: 334.455 | Formula: C22H26N2O
H donors: 1 H acceptors: 1 LogP: 4.27 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1C)NC1CC2CCC(C1)N2Cc1ccccc1
InChi: 1S/C22H26N2O/c1-16-7-5-6-10-21(16)22(25)23-18-13-19-11-12-20(14-18)24(19)15-17-8-3-2-4-9-17/h2-10,18-20H,11-15H2,1H3,(H,23,25)
InChiKey: ZRLTYTLPSGRSKI-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

N-[8-(benzyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-benzamide
MLS000677238
SMR000286039
ASN 06219859
N-(8-Benzyl-8-aza-bicyclo[3.2.1]oct-3-yl)-2-methyl-benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Mus musculus	transient receptor potential cation channel, subfamily C, member 4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	transient receptor potential ion channel A	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Short transient receptor potential channel 5, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus granulosus	TRP transient receptor potential channel	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus multilocularis	transient receptor potential gamma protein	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	ko:K05328 transient receptor potential cation channel, subfamily C,, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus multilocularis	transient receptor potential ion channel A	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Transient receptor potential-gamma protein, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus multilocularis	TRP (transient receptor potential) channel	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma mansoni	transient receptor potential channel 4	Get druggable targets OG5_128782	All targets in OG5_128782
Brugia malayi	Transient-receptor-potential like protein	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus granulosus	transient receptor potential gamma protein	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma mansoni	transient receptor potential channel	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Short transient receptor potential channel 5, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	ko:K05328 transient receptor potential cation channel, subfamily C,, putative	Get druggable targets OG5_128782	All targets in OG5_128782

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	short transient receptor potential channel 6	transient receptor potential cation channel, subfamily C, member 4	890 aa	799 aa	31.2 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	carboxylesterase 5A	0.0153	0.7165	0.711
Loa Loa (eye worm)	carboxylesterase	0.0153	0.7165	1
Brugia malayi	RNA binding protein	0.0042	0.1054	0.1471
Brugia malayi	Transient-receptor-potential like protein	0.0044	0.1165	0.1625
Schistosoma mansoni	tar DNA-binding protein	0.0042	0.1054	0.1054
Brugia malayi	Carboxylesterase family protein	0.0026	0.0191	0.0266
Echinococcus multilocularis	short transient receptor potential channel 6	0.0078	0.3026	0.2891
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0026	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0191	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0191	0.0266
Trichomonas vaginalis	spcc417.12 protein, putative	0.0026	0.0191	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0042	0.1054	0.1054
Onchocerca volvulus		0.0026	0.0191	0.5
Brugia malayi	Carboxylesterase family protein	0.0026	0.0191	0.0266
Loa Loa (eye worm)	carboxylesterase	0.0026	0.0191	0.0266
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0033	0.0568	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0153	0.7165	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.2812	0.3925
Onchocerca volvulus		0.0026	0.0191	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0026	0.0191	0.5
Echinococcus multilocularis	transient receptor potential gamma protein	0.0117	0.5204	0.511
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1165	0.1625
Echinococcus granulosus	tar DNA binding protein	0.0042	0.1054	0.088
Onchocerca volvulus		0.0026	0.0191	0.5
Schistosoma mansoni	transient receptor potential channel 4	0.0117	0.5204	0.5204
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0042	0.1054	0.1471
Onchocerca volvulus		0.0026	0.0191	0.5
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0042	0.1054	0.088
Loa Loa (eye worm)	hypothetical protein	0.004	0.095	0.1326
Schistosoma mansoni	tar DNA-binding protein	0.0042	0.1054	0.1054
Schistosoma mansoni	gliotactin	0.0026	0.0191	0.0191
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0153	0.7165	0.7165
Schistosoma mansoni	BC026374 protein (S09 family)	0.0026	0.0191	0.0191
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0033	0.0568	0.0793
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0033	0.0568	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0191	0.0266
Brugia malayi	Carboxylesterase family protein	0.0153	0.7165	1
Echinococcus multilocularis	geminin	0.0205	1	1
Brugia malayi	hypothetical protein	0.0026	0.0191	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0117	0.5204	0.7262
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0191	0.0266
Echinococcus multilocularis	acetylcholinesterase	0.0153	0.7165	0.711
Schistosoma mansoni	transient receptor potential channel	0.0078	0.3026	0.3026
Loa Loa (eye worm)	acetylcholinesterase 1	0.0153	0.7165	1
Echinococcus granulosus	transient receptor potential ion channel A	0.0113	0.4989	0.4892
Mycobacterium ulcerans	carboxylesterase, LipT	0.0026	0.0191	0.5
Echinococcus granulosus	short transient receptor potential channel 6	0.0078	0.3026	0.2891
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0044	0.1165	0.0993
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0026	0.0191	0.0191
Echinococcus granulosus	transient receptor potential gamma protein	0.0117	0.5204	0.511
Echinococcus granulosus	acetylcholinesterase	0.0153	0.7165	0.711
Schistosoma mansoni	tar DNA-binding protein	0.0042	0.1054	0.1054
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0026	0.0191	0.5
Brugia malayi	TAR-binding protein	0.0042	0.1054	0.1471
Echinococcus multilocularis	short transient receptor potential channel 6	0.0078	0.3026	0.2891
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0568	0.0793
Brugia malayi	Carboxylesterase family protein	0.0026	0.0191	0.0266
Onchocerca volvulus		0.0026	0.0191	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0191	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0191	0.0266
Echinococcus granulosus	short transient receptor potential channel 6	0.0078	0.3026	0.2891
Loa Loa (eye worm)	carboxylesterase	0.0026	0.0191	0.0266
Schistosoma mansoni	transient receptor potential channel	0.0078	0.3026	0.3026
Loa Loa (eye worm)	TAR-binding protein	0.0042	0.1054	0.1471
Schistosoma mansoni	transient receptor potential channel	0.0117	0.5204	0.5204
Loa Loa (eye worm)	hypothetical protein	0.0153	0.7165	1
Echinococcus granulosus	TRP transient receptor potential channel	0.0044	0.1165	0.0993
Schistosoma mansoni	tar DNA-binding protein	0.0042	0.1054	0.1054
Echinococcus multilocularis	carboxylesterase 5A	0.0153	0.7165	0.711
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0026	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0191	0.0266
Schistosoma mansoni	acetylcholinesterase	0.0026	0.0191	0.0191
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Brugia malayi	Carboxylesterase family protein	0.0153	0.7165	1
Loa Loa (eye worm)	RNA binding protein	0.0042	0.1054	0.1471
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0026	0.0191	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0026	0.0191	0.5
Brugia malayi	Carboxylesterase family protein	0.0026	0.0191	0.0266
Echinococcus multilocularis	acetylcholinesterase	0.0153	0.7165	0.711
Echinococcus granulosus	acetylcholinesterase	0.0153	0.7165	0.711
Echinococcus multilocularis	transient receptor potential ion channel A	0.0113	0.4989	0.4892
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0026	0.0191	0.0191
Brugia malayi	RNA recognition motif domain containing protein	0.0042	0.1054	0.1471

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	0.188 uM	PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256]	ChEMBL.	No reference
Potency (functional)	0.8199 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	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

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1717362

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1484036