TDR Targets

Basic information

Technical information

TDR Targets ID: 456849
Name: N-(3-aminophenyl)-3-piperidin-1-ylsulfonylben zamide
MW: 359.443 | Formula: C18H21N3O3S
H donors: 2 H acceptors: 3 LogP: 2.07 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Nc1cccc(c1)NC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1
InChi: 1S/C18H21N3O3S/c19-15-7-5-8-16(13-15)20-18(22)14-6-4-9-17(12-14)25(23,24)21-10-2-1-3-11-21/h4-9,12-13H,1-3,10-11,19H2,(H,20,22)
InChiKey: QTYJUQRMKMPJND-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-aminophenyl)-3-(1-piperidylsulfonyl)benzamide
N-(3-aminophenyl)-3-piperidin-1-ylsulfonyl-benzamide
N-(3-aminophenyl)-3-piperidinosulfonyl-benzamide
Oprea1_004684
Oprea1_562607

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cannabinoid receptor 1 (brain)	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
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1147	0.1485
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.1147	0.5
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0084	0.3366	0.4358
Toxoplasma gondii	ABC1 family protein	0.0036	0.1147	0.3409
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.4952	0.6411
Mycobacterium leprae	Probable lipase LipE	0.0036	0.1147	0.5
Schistosoma mansoni	carbonic anhydrase-related	0.0084	0.3366	0.4358
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1147	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.1147	0.4379
Trypanosoma brucei	carbonic anhydrase-like protein	0.0179	0.7725	1
Brugia malayi	beta-lactamase family protein	0.0036	0.1147	0.1485
Plasmodium falciparum	carbonic anhydrase	0.0084	0.3366	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.2369	0.3067
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.1147	0.1485
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0084	0.3366	0.4358
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.1147	0.1485
Leishmania major	hypothetical protein, conserved	0.0068	0.262	0.2239
Brugia malayi	RNA binding protein	0.0062	0.2369	0.3067
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.1147	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1147	0.1485
Mycobacterium ulcerans	beta-lactamase	0.0036	0.1147	0.5
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0068	0.262	0.3392
Toxoplasma gondii	hypothetical protein	0.0084	0.3366	1
Loa Loa (eye worm)	carbonic anhydrase 3	0.0179	0.7725	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.3366	0.4358
Mycobacterium ulcerans	lipase LipD	0.0036	0.1147	0.5
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0068	0.262	0.7785
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0068	0.262	0.3392
Leishmania major	carbonic anhydrase-like protein	0.0179	0.7725	1
Brugia malayi	TAR-binding protein	0.0062	0.2369	0.3067
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0084	0.3366	0.4358
Schistosoma mansoni	hypothetical protein	0.0084	0.3366	0.4358
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0068	0.262	0.3392
Echinococcus granulosus	carbonic anhydrase	0.0084	0.3366	0.4358
Brugia malayi	beta-lactamase	0.0036	0.1147	0.1485
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0068	0.262	0.3392
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1147	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.1147	0.1485
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.2369	0.3067
Trichomonas vaginalis	esterase, putative	0.0036	0.1147	0.5
Echinococcus multilocularis	carbonic anhydrase II	0.0179	0.7725	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.4952	0.6411
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.1147	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2369	0.3067
Toxoplasma gondii	Erv1 / Alr family protein	0.0068	0.262	0.7785
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1147	0.1485
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2369	0.3067
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1147	0.1485
Echinococcus granulosus	carbonic anhydrase	0.0084	0.3366	0.4358
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.1147	0.1485
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0179	0.7725	1
Echinococcus granulosus	tar DNA binding protein	0.0062	0.2369	0.3067
Schistosoma mansoni	carbonic anhydrase	0.0084	0.3366	0.4358
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1147	0.1485
Loa Loa (eye worm)	RNA binding protein	0.0062	0.2369	0.3067
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1147	0.1485
Echinococcus multilocularis	carbonic anhydrase	0.0084	0.3366	0.4358
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.1147	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.2369	0.3067
Mycobacterium ulcerans	hypothetical protein	0.0036	0.1147	0.5
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0068	0.262	1
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0068	0.262	0.3392
Onchocerca volvulus		0.0036	0.1147	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.1147	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0084	0.3366	0.4358
Brugia malayi	beta-lactamase family protein	0.0036	0.1147	0.1485
Brugia malayi	Augmenter of liver regeneration	0.0068	0.262	0.3392
Echinococcus granulosus	carbonic anhydrase II	0.0179	0.7725	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0084	0.3366	0.4358
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1147	0.1485
Schistosoma mansoni	carbonic anhydrase-related	0.0084	0.3366	0.4358
Onchocerca volvulus		0.0036	0.1147	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1147	0.5
Echinococcus multilocularis	carbonic anhydrase	0.0084	0.3366	0.4358
Loa Loa (eye worm)	beta-lactamase	0.0036	0.1147	0.1485
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0179	0.7725	1
Toxoplasma gondii	Erv1 / Alr family protein	0.0068	0.262	0.7785
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0537	0.0695
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2369	0.3067
Loa Loa (eye worm)	hypothetical protein	0.0084	0.3366	0.4358
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0084	0.3366	0.4358
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.1147	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.1147	0.1485
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2369	0.3067
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0068	0.262	0.3392
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1147	0.1485
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0179	0.7725	1
Schistosoma mansoni	carbonic anhydrase-related	0.0084	0.3366	0.4358
Echinococcus multilocularis	carbonic anhydrase	0.0084	0.3366	0.4358
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.1147	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2369	0.3067
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0179	0.7725	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.2369	0.3067
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0179	0.7725	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0179	0.7725	1
Onchocerca volvulus		0.0036	0.1147	1
Loa Loa (eye worm)	hepatopoietin HPO2	0.0068	0.262	0.3392
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0537	0.0695
Brugia malayi	MH2 domain containing protein	0.0118	0.4952	0.6411
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0179	0.7725	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0084	0.3366	0.4358
Echinococcus granulosus	carbonic anhydrase	0.0084	0.3366	0.4358

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	< -5	Agonist activity at human recombinant CB1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay	ChEMBL.	17027269
IC50 (binding)	= -5.3	Binding affinity to human recombinant CB1 receptor	ChEMBL.	17027269
Log EC50 (functional)	< 5	Agonist activity at human recombinant CB1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay	ChEMBL.	17027269
Log IC50 (binding)	= 5.3	Binding affinity to human recombinant CB1 receptor	ChEMBL.	17027269

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: CHEMBL246093
PubChem: 3604821

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 456849