TDR Targets

Basic information

Technical information

TDR Targets ID: 998087
Name: N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-phenylpipe ridine-4-carboxamide
MW: 351.399 | Formula: C20H21N3O3
H donors: 2 H acceptors: 2 LogP: 2.33 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C1COc2c(N1)cc(cc2)NC(=O)C1CCN(CC1)c1ccccc1
InChi: 1S/C20H21N3O3/c24-19-13-26-18-7-6-15(12-17(18)22-19)21-20(25)14-8-10-23(11-9-14)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,21,25)(H,22,24)
InChiKey: SIMIDDRAOCNPCA-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-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-phenyl-piperidine-4-carboxamide
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-phenyl-4-piperidinecarboxamide
N-(3-keto-4H-1,4-benzoxazin-6-yl)-1-phenyl-isonipecotamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	transient receptor potential cation channel, subfamily V, member 1	Starlite/ChEMBL	References

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
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0295	0.0915
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.04	0.3869	1
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0168	0.0168
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0041	0.0041
Plasmodium falciparum	dihydroorotate dehydrogenase	0.1025	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0041	0.0106
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0295	0.0177
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0295	0.0177
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0295	0.0177
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0127
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.1025	1	1
Brugia malayi	beta-lactamase	0.0036	0.0295	0.0295
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0041	0.0041
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.04	0.3869	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.04	0.3869	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0295	0.0177
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0041	0.0041
Schistosoma mansoni	ap endonuclease	0.0018	0.012	0.012
Toxoplasma gondii	ABC1 family protein	0.0036	0.0295	0.0295
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0295	0.0915
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0041	0.0106
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0295	0.0915
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0041	0.0041
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0041	0.0041
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0041	0.0041
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.04	0.3869	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0191	0.0494
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0041	0.0041
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.04	0.3869	1
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0041	0.0041
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0295	0.0915
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0295	0.0177
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.1025	1	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.04	0.3869	1
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.1025	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0295	0.0763
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0041	0.0106
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0295	0.0295
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0249	0.0249
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0041	0.0041
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.012	0.012
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0295	0.0295
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0127
Brugia malayi	beta-lactamase family protein	0.0036	0.0295	0.0295
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0191	0.0072
Echinococcus granulosus	geminin	0.0171	0.1623	0.4195
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0041	0.0106
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0249	0.0645
Entamoeba histolytica	Ran family GTPase	0.0023	0.0168	0.0435
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0295	0.0177
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0041	0.0106
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0295	0.0763
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0041	0.0106
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.012	0.0373
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0168	0.0521
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0041	0.0106
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0127
Trichomonas vaginalis	ran, putative	0.0023	0.0168	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0295	0.0915
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0041	0.0041
Schistosoma mansoni	ran	0.0023	0.0168	0.0168
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0295	0.0763
Schistosoma mansoni	coup transcription factor	0.001	0.0041	0.0041
Plasmodium falciparum	importin beta, putative	0.0031	0.0249	0.0249
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.1025	1	1
Schistosoma mansoni	importin beta-1	0.0031	0.0249	0.0249
Echinococcus granulosus	snurportin 1	0.0335	0.3226	0.8336
Schistosoma mansoni	ap endonuclease	0.0018	0.012	0.012
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0041	0.0041
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0041	0.0106
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0295	0.0763
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0041	0.0041
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0041	0.0127
Brugia malayi	nuclear hormone receptor	0.001	0.0041	0.0041
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0295	0.0177
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0249	0.0645
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0191	0.0494
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0295	0.0295
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0295	0.0177
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0191	0.0494
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0295	0.0177
Trichomonas vaginalis	esterase, putative	0.0036	0.0295	0.0763
Leishmania major	hypothetical protein, conserved	0.0036	0.0295	0.0295
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.1025	1	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.1025	1	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0249	0.0249
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0041	0.0127
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0295	0.0763
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0041	0.0041
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0041	0.0106
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0041	0.0041
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0041	0.0106
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.04	0.3869	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0295	0.0763
Entamoeba histolytica	hypothetical protein	0.0025	0.0191	0.0494
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.0168	1
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0041	0.0041
Onchocerca volvulus		0.0036	0.0295	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0041	0.0041
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0041	0.0106
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0041	0.0106
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.012	0.0311
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.1025	1	1
Mycobacterium ulcerans	lipase LipD	0.0036	0.0295	0.0177
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.012	0.0311
Brugia malayi	ecdysteroid receptor	0.001	0.0041	0.0041
Schistosoma mansoni	hypothetical protein	0.0171	0.1623	0.1623
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0041	0.0106
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0295	0.0295
Schistosoma mansoni	dihydroorotate dehydrogenase	0.1025	1	1
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.04	0.3869	1
Echinococcus multilocularis	geminin	0.0171	0.1623	0.4195
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.1025	1	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0168	0.0049
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0295	0.0295
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0295	0.0763
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.012	0.012
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0295	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0295	0.0915
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0295	0.0915
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0335	0.3226	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.012	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0041	0.0106
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.012	0.012
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.012	0.012
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0168	0.0168
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0249	0.0249
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0191	0.0191
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0127
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0041	0.0041
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0127
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.22	0.2105
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.04	0.3869	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0041	0.0041
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0041	0.0041
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.04	0.3869	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0295	0.0295
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0127
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0168	0.0168
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0041	0.0041
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.1025	1	1
Schistosoma mansoni	hypothetical protein	0.0335	0.3226	0.3226
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.1025	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0041	0.0106
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0041	0.0127
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0127
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0041	0.0041
Leishmania major	dihydroorotate dehydrogenase	0.1025	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0295	0.0177
Brugia malayi	Importin beta-1 subunit	0.0031	0.0249	0.0249
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0295	0.0177
Onchocerca volvulus		0.0036	0.0295	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0041	0.0127
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0295	0.0177
Schistosoma mansoni	ran	0.0023	0.0168	0.0168
Brugia malayi	nuclear receptor NHR-88	0.001	0.0041	0.0041
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.012	0.0311
Brugia malayi	steroid hormone receptor	0.001	0.0041	0.0041
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0168	0.0049
Toxoplasma gondii	exonuclease III APE	0.0018	0.012	0.012
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.1025	1	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.012	0.0311
Brugia malayi	Zinc finger, C2H2 type family protein	0.04	0.3869	0.3869
Brugia malayi	RNA, U transporter 1	0.0089	0.0817	0.0817
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0168	0.0168
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.012	0.0311
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0295	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0041	0.0041
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0041	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0041	0.0041
Echinococcus multilocularis	snurportin 1	0.0335	0.3226	0.8336
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.04	0.3869	0.3795
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0041	0.0127
Leishmania major	GTP-binding protein, putative	0.0023	0.0168	0.0168
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0041	0.0127
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0041	0.0106
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0168	0.0435
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0041	0.0041
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0127
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0041	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0295	0.0915
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0295	0.0177
Onchocerca volvulus		0.0036	0.0295	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0249	0.0773
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0295	0.0177
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0041	0.0041
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0168	0.0435
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.04	0.3869	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0041	0.0127
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0168	0.0168
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0041	0.0106
Schistosoma mansoni	hypothetical protein	0.0171	0.1623	0.1623

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1810 nM	Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux by FLIPR	ChEMBL.	18662879

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: CHEMBL497486

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 998087