TDR Targets

Basic information

Technical information

TDR Targets ID: 1231325
Name: 7-(benzoylamino)-N-(4-fluorophenyl)-9-azabicy clo[3.3.1]nonane-9-carboxamide
MW: 381.443 | Formula: C22H24FN3O2
H donors: 2 H acceptors: 2 LogP: 3.72 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)NC(=O)N1C2CCCC1CC(C2)NC(=O)c1ccccc1
InChi: 1S/C22H24FN3O2/c23-16-9-11-17(12-10-16)25-22(28)26-19-7-4-8-20(26)14-18(13-19)24-21(27)15-5-2-1-3-6-15/h1-3,5-6,9-12,18-20H,4,7-8,13-14H2,(H,24,27)(H,25,28)
InChiKey: KWQTZZDHHSSZHQ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-(4-fluorophenyl)-7-[(oxo-phenylmethyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
N-(4-fluorophenyl)-7-(phenylcarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
ASN 06231513

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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
Onchocerca volvulus		0.0383	0.2401	1
Onchocerca volvulus		0.0043	0.001	0.004
Loa Loa (eye worm)	hypothetical protein	0.0043	0.001	0.002
Onchocerca volvulus		0.0043	0.001	0.004
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.001	0.002
Schistosoma mansoni	inositol transporter	0.0145	0.0725	0.072
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0043	0.0005	0.0026
Onchocerca volvulus		0.0383	0.2401	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.001	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0043	0.001	0.002
Echinococcus granulosus	solute carrier family 5	0.0145	0.0725	0.8054
Schistosoma mansoni	tyrosinase precursor	0.1463	1	1
Echinococcus granulosus	sodium:glucose cotransporter	0.0145	0.0725	0.8054
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.001	1
Plasmodium falciparum	polyprenol reductase, putative	0.0043	0.0005	0.5
Echinococcus granulosus	chromobox protein 1	0.007	0.0195	0.2128
Loa Loa (eye worm)	hypothetical protein	0.0304	0.1845	0.7679
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0304	0.1845	0.7679
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0304	0.1845	1
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0145	0.0725	0.8054
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0005	0.0026
Onchocerca volvulus		0.0043	0.001	0.004
Loa Loa (eye worm)	ShTK domain-containing protein	0.0383	0.2401	1
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.0195	0.0794
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0304	0.1845	1
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.001	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0325	0.1337
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0304	0.1845	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.001	0.002
Brugia malayi	hypothetical protein	0.0088	0.0325	0.1337
Plasmodium falciparum	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0005	0.5
Schistosoma mansoni	chromobox protein	0.007	0.0195	0.019
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0043	0.0005	0.0026
Echinococcus multilocularis	geminin	0.017	0.0899	1
Giardia lamblia	Synaptic glycoprotein SC2	0.0043	0.0005	0.5
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0005	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0043	0.001	0.002
Brugia malayi	ShTK domain containing protein	0.0383	0.2401	1
Mycobacterium leprae	Probable lipase LipE	0.0043	0.001	0.5
Brugia malayi	beta-lactamase family protein	0.0043	0.001	0.002
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0145	0.0725	0.8054
Schistosoma mansoni	hypothetical protein	0.017	0.0899	0.0894
Onchocerca volvulus		0.0043	0.0005	0.002
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.001	0.0052
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0005	0.0026
Onchocerca volvulus		0.0383	0.2401	1
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0304	0.1845	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.001	0.0053
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0195	0.1057
Brugia malayi	Common central domain of tyrosinase family protein	0.0383	0.2401	1
Onchocerca volvulus		0.0383	0.2401	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0383	0.2401	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1658	1
Echinococcus granulosus	chromobox protein 1	0.007	0.0195	0.2128
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0383	0.2401	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0383	0.2401	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.001	0.0052
Loa Loa (eye worm)	tyrosinase 1	0.0383	0.2401	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.001	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0043	0.001	0.002
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.001	0.0026
Echinococcus granulosus	geminin	0.017	0.0899	1
Toxoplasma gondii	ABC1 family protein	0.0043	0.001	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0383	0.2401	1
Echinococcus multilocularis	solute carrier family 5	0.0145	0.0725	0.8054
Loa Loa (eye worm)	hypothetical protein	0.0043	0.001	0.002
Mycobacterium ulcerans	hypothetical protein	0.0304	0.1845	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.001	0.0052
Schistosoma mansoni	eyes absent homolog	0.0088	0.0325	0.0321
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0145	0.0725	0.8054
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0383	0.2401	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0325	0.1337
Loa Loa (eye worm)	beta-lactamase	0.0043	0.001	0.002
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.001	0.0052
Brugia malayi	beta-lactamase	0.0043	0.001	0.002
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0145	0.0725	0.8054
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0304	0.1845	1
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0383	0.2401	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.001	0.0005
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0304	0.1845	1
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.001	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.001	0.002
Brugia malayi	beta-lactamase family protein	0.0043	0.001	0.002
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0304	0.1845	1
Schistosoma mansoni	inositol transporter	0.0145	0.0725	0.072
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0195	0.1057
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.001	0.0052
Schistosoma mansoni	hypothetical protein	0.017	0.0899	0.0894
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0043	0.0005	0.0026
Schistosoma mansoni	chromobox protein	0.007	0.0195	0.019
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.001	0.0053
Echinococcus multilocularis	chromobox protein 1	0.007	0.0195	0.2128
Echinococcus multilocularis	chromobox protein 1	0.007	0.0195	0.2128
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0304	0.1845	1
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0304	0.1845	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.2401	1
Trichomonas vaginalis	esterase, putative	0.0043	0.001	0.0052
Brugia malayi	Heterochromatin protein 1	0.007	0.0195	0.0794

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.631 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	25.1189 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)	63.0957 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: CHEMBL1349256

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 1231325