TDR Targets

Basic information

Technical information

TDR Targets ID: 1283064
Name: 2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperid in-1-ylsulfonylbenzamide
MW: 443.559 | Formula: C23H29N3O4S
H donors: 1 H acceptors: 3 LogP: 2.86 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cc(ccc1C)S(=O)(=O)N1CCCCC1)Nc1ccc(cc1)N1CCOCC1
InChi: 1S/C23H29N3O4S/c1-18-5-10-21(31(28,29)26-11-3-2-4-12-26)17-22(18)23(27)24-19-6-8-20(9-7-19)25-13-15-30-16-14-25/h5-10,17H,2-4,11-16H2,1H3,(H,24,27)
InChiKey: OGNLSACGIFJOBY-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-methyl-N-(4-morpholinophenyl)-5-(1-piperidylsulfonyl)benzamide
2-methyl-N-(4-morpholinophenyl)-5-piperidinosulfonyl-benzamide
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonyl-benzamide
T5241306
ZINC02648148
MLS000570401
SMR000150438

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0476	0.148
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0021	0.0028	0.0549
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0061	0.0508	0.0508
Toxoplasma gondii	Rab geranylgeranyl transferase type II beta subunit, putative	0.0061	0.0508	1
Brugia malayi	beta-lactamase family protein	0.0027	0.01	0.031
Trichomonas vaginalis	set domain proteins, putative	0.0167	0.179	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.01	0.031
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0061	0.0508	0.158
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0027	0.01	0.031
Plasmodium falciparum	geranylgeranyl transferase type2 beta subunit, putative	0.0061	0.0508	1
Trichomonas vaginalis	ap endonuclease, putative	0.0028	0.0109	0.0609
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0028	0.0109	0.2145
Schistosoma mansoni	hypothetical protein	0.0026	0.0082	0.1618
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.044	0.1367
Plasmodium vivax	hypothetical protein, conserved	0.0027	0.01	0.1961
Mycobacterium leprae	Probable lipase LipE	0.0027	0.01	0.5
Schistosoma mansoni	hypothetical protein	0.0058	0.0476	0.9369
Brugia malayi	latrophilin 2 splice variant baaae	0.0026	0.0082	0.0256
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0061	0.0508	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.044	0.1367
Plasmodium vivax	SET domain protein, putative	0.0021	0.0028	0.0549
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0028	0.0109	0.2145
Schistosoma mansoni	ap endonuclease	0.0028	0.0109	0.2145
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.044	0.1367
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0028	0.0549
Trypanosoma cruzi	geranylgeranyl transferase type II beta subunit, putative	0.0061	0.0508	0.0508
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.3216	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0028	0.0109	0.0109
Toxoplasma gondii	exonuclease III APE	0.0028	0.0109	0.2145
Brugia malayi	Pre-SET motif family protein	0.0147	0.1545	0.4805
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0061	0.0508	0.2838
Onchocerca volvulus		0.0058	0.0476	0.2543
Trypanosoma cruzi	hypothetical protein, conserved	0.0061	0.0508	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0027	0.01	0.031
Toxoplasma gondii	ABC1 family protein	0.0027	0.01	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0225	0.0699
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0028	0.0087
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.0061	0.0508	0.158
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0037	0.0225	0.0699
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0027	0.01	0.031
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0028	0.0109	0.5
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0061	0.0508	0.2838
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0173	0.1855	0.2988
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0027	0.01	0.1961
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.002	0.0019	0.0058
Leishmania major	hypothetical protein, conserved	0.0027	0.01	0.0108
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0028	0.0109	0.0339
Trichomonas vaginalis	esterase, putative	0.0027	0.01	0.0557
Trypanosoma brucei	squalene monooxygenase, putative	0.0241	0.2681	0.2681
Brugia malayi	beta-lactamase	0.0027	0.01	0.031
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0508	0.158
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.044	0.8655
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0028	0.0087
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0037	0.0225	0.0699
Trypanosoma cruzi	hypothetical protein, conserved	0.0061	0.0508	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0027	0.01	0.031
Entamoeba histolytica	geranylgeranyl transferase beta subunit	0.0061	0.0508	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0028	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0027	0.01	0.031
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0021	0.0028	0.0549
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0021	0.0028	0.0087
Brugia malayi	beta-lactamase family protein	0.0027	0.01	0.031
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.0061	0.0508	0.158
Brugia malayi	Pre-SET motif family protein	0.0021	0.0028	0.0087
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.044	0.8655
Trichomonas vaginalis	D-aminoacylase, putative	0.0027	0.01	0.0557
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0028	0.0109	0.0118
Plasmodium vivax	geranylgeranyl transferase type2 beta subunit, putative	0.0061	0.0508	1
Onchocerca volvulus		0.0167	0.179	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0028	0.0109	0.0109
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0061	0.0508	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0027	0.01	0.031
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0061	0.0508	0.158
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0028	0.0109	0.2145
Leishmania major	squalene monooxygenase-like protein	0.0241	0.2681	0.2893
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0028	0.0109	0.0339
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.044	0.1367
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0028	0.0549
Onchocerca volvulus		0.0027	0.01	0.0407
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.0514	0.5975	1
Leishmania major	farnesyltransferase beta subunit	0.0061	0.0508	0.0548
Trypanosoma cruzi	lanosterol synthase, putative	0.0848	1	1
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.3216	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0147	0.1545	0.4805
Trypanosoma cruzi	squalene monooxygenase, putative	0.0241	0.2681	0.2681
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0028	0.0109	0.0016
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0027	0.01	0.031
Echinococcus granulosus	beta LACTamase domain containing family member	0.0027	0.01	0.031
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.0061	0.0508	0.158
Brugia malayi	exodeoxyribonuclease III family protein	0.0028	0.0109	0.0339
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0028	0.0109	0.0339
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0061	0.0508	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0286	0.3216	1
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0061	0.0508	1
Entamoeba histolytica	Rab geranylgeranyltransferase beta subunit, putative	0.0061	0.0508	1
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.0061	0.0508	0.158
Trichomonas vaginalis	ap endonuclease, putative	0.0028	0.0109	0.0609
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.0061	0.0508	0.2838
Leishmania major	lanosterol synthase, putative	0.0787	0.9266	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0028	0.0109	0.2145
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0061	0.0508	0.2838
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.0061	0.0508	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0027	0.01	0.0557
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0061	0.0508	0.158
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.044	0.8655
Onchocerca volvulus		0.0107	0.106	0.5857
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0028	0.0109	1
Brugia malayi	hypothetical protein	0.0107	0.106	0.3296
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0061	0.0508	1
Trypanosoma cruzi	squalene monooxygenase, putative	0.0241	0.2681	0.2681
Loa Loa (eye worm)	beta-lactamase	0.0027	0.01	0.031
Schistosoma mansoni	ap endonuclease	0.0028	0.0109	0.2145
Plasmodium vivax	geranylgeranyltransferase, putative	0.0061	0.0508	1
Leishmania major	geranylgeranyltransferase, putative	0.0061	0.0508	0.0548
Trichomonas vaginalis	D-aminoacylase, putative	0.0027	0.01	0.0557
Trypanosoma brucei	hypothetical protein, conserved	0.0027	0.01	0.01
Trichomonas vaginalis	D-aminoacylase, putative	0.0027	0.01	0.0557
Brugia malayi	hypothetical protein	0.0286	0.3216	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0027	0.01	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0027	0.01	0.031
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0061	0.0508	0.0508
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.0061	0.0508	0.158
Trypanosoma brucei	geranylgeranyl transferase type II beta subunit, putative	0.0061	0.0508	0.0508
Plasmodium falciparum	geranylgeranyltransferase, putative	0.0061	0.0508	1
Mycobacterium leprae	conserved hypothetical protein	0.0027	0.01	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0028	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0107	0.106	0.3296
Giardia lamblia	Rab geranylgeranyltransferase	0.0061	0.0508	1
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.0061	0.0508	1
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.0061	0.0508	0.2838
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0061	0.0508	0.158
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.0061	0.0508	0.0508
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.0061	0.0508	1
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0061	0.0508	0.2838
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0061	0.0508	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0082	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0508	0.158
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.0061	0.0508	1
Trypanosoma cruzi	lanosterol synthase, putative	0.0848	1	1
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.0061	0.0508	0.158
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0037	0.0225	0.0699
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0061	0.0508	1
Onchocerca volvulus		0.0027	0.01	0.0407
Onchocerca volvulus		0.0027	0.01	0.0407
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.044	0.1367
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0028	0.0109	0.0109
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.0061	0.0508	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0027	0.01	0.0557
Trypanosoma cruzi	hypothetical protein, conserved	0.0027	0.01	0.01
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0476	0.9369
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.044	0.1367
Giardia lamblia	Prenyltransferase	0.0061	0.0508	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0027	0.01	0.01
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0028	0.0109	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7375 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)	10 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1391490

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 1283064