TDR Targets

Basic information

Technical information

TDR Targets ID: 1359340
Name: 4-methyl-N-[(4-methylphenyl)methyl]-3-piperid in-1-ylsulfonylbenzamide
MW: 386.508 | Formula: C21H26N2O3S
H donors: 1 H acceptors: 3 LogP: 3.42 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)CNC(=O)c1ccc(c(c1)S(=O)(=O)N1CCCCC1)C
InChi: 1S/C21H26N2O3S/c1-16-6-9-18(10-7-16)15-22-21(24)19-11-8-17(2)20(14-19)27(25,26)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24)
InChiKey: SYGVCRXMTGAMFE-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

4-methyl-N-[(4-methylphenyl)methyl]-3-(1-piperidylsulfonyl)benzamide
4-methyl-N-(4-methylbenzyl)-3-piperidinosulfonyl-benzamide
4-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-benzamide
ZINC06204488
T5397657

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0028	0.5
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0213	0.1082	0.1859
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.0028	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0192	0.0314
Onchocerca volvulus		0.0213	0.1082	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0033	0.011
Echinococcus granulosus	polycomb protein SCMH1	0.0058	0.0205	0.0338
Echinococcus multilocularis	polycomb protein SCMH1	0.0058	0.0205	0.0338
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0192	0.0164
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0028	0.5
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0026	0.0028	0.0026
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0026	0.0028	0.0026
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Leishmania major	carnitine/choline acetyltransferase, putative	0.0213	0.1082	0.1859
Echinococcus granulosus	cathepsin l1	0.0026	0.0028	0.0026
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0026	0.0028	0.0028
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.103	0.5698	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0028	0.5
Echinococcus granulosus	SAM and MBT domain containing protein	0.0058	0.0205	0.0338
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.022	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0205	0.0205
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0066	0.025	0.0223
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0058	0.0205	0.0338
Schistosoma mansoni	choline o-acyltransferase	0.0213	0.1082	0.5793
Onchocerca volvulus		0.0058	0.0205	0.1679
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0362	0.0362
Brugia malayi	Choline O-acetyltransferase	0.0213	0.1082	0.1057
Brugia malayi	Bromodomain containing protein	0.0091	0.0391	0.0364
Loa Loa (eye worm)	MBCTL1	0.0066	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.1791	1	1
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0058	0.0205	0.1679
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0213	0.1082	0.6615
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Loa Loa (eye worm)	choline O-acetyltransferase	0.0213	0.1082	0.1082
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0213	0.1082	0.1859
Echinococcus multilocularis	choline O acetyltransferase	0.0213	0.1082	0.188
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0213	0.1082	0.1057
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0125	0.0196
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0287	0.0482
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0192	0.0314
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0026	0.0028	0.0028
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0308	0.1621	0.1598
Onchocerca volvulus		0.0213	0.1082	1
Echinococcus granulosus	choline O acetyltransferase	0.0213	0.1082	0.188
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0066	0.025	0.0417
Schistosoma mansoni	choline o-acyltransferase	0.0213	0.1082	0.5793
Brugia malayi	PHD-finger family protein	0.003	0.0049	0.0021
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.103	0.5698	1
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0308	0.1621	0.281
Loa Loa (eye worm)	hypothetical protein	0.006	0.022	0.022
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.103	0.5698	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0028	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0308	0.1621	0.2829
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0026	0.0028	0.5
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0227	0.1162	0.2021
Trypanosoma cruzi	hypothetical protein, conserved	0.0213	0.1082	0.1859
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.103	0.5698	1
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0213	0.1082	0.6615
Brugia malayi	Bromodomain containing protein	0.0046	0.0141	0.0113
Loa Loa (eye worm)	mbt repeat family protein	0.0058	0.0205	0.0205
Echinococcus multilocularis	cathepsin L cysteine protease	0.0026	0.0028	0.0026
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0157	0.0157
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0213	0.1082	0.1859
Loa Loa (eye worm)	hypothetical protein	0.0213	0.1082	0.1082
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0125	0.0196
Trypanosoma cruzi	hypothetical protein, conserved	0.0213	0.1082	0.1859
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.103	0.5698	1
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0213	0.1082	0.1859
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0028	0.5
Toxoplasma gondii	cathepsin CPL	0.0026	0.0028	0.5
Brugia malayi	mbt repeat family protein	0.0058	0.0205	0.0177
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0066	0.025	0.0417
Loa Loa (eye worm)	ctsf protein	0.0026	0.0028	0.0028
Trypanosoma cruzi	hypothetical protein, conserved	0.0213	0.1082	0.1859
Onchocerca volvulus		0.0213	0.1082	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0033	0.0036
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0308	0.1621	0.1621
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0026	0.0028	0.0026
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0192	0.0192
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0308	0.1621	0.2829
Schistosoma mansoni	hypothetical protein	0.0041	0.0112	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0141	0.0141
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.022	0.0192
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0026	0.0028	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0192	0.0968
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0308	0.1621	1
Entamoeba histolytica	cysteine protease, putative	0.0026	0.0028	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0213	0.1082	0.1859
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0033	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0028	0.0028
Plasmodium vivax	vivapain-2	0.0026	0.0028	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Leishmania major	carnitine palmitoyltransferase-like protein	0.0308	0.1621	0.281
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0028	0.5
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0213	0.1082	0.6615
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0028	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0026	0.0028	0.0026
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Echinococcus granulosus	histone acetyltransferase MYST2	0.0066	0.025	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0052	0.017	0.017
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0192	0.0968
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0213	0.1082	0.1082
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0028	0.5
Brugia malayi	mbt repeat family protein	0.0058	0.0205	0.0177
Onchocerca volvulus		0.0213	0.1082	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0192	0.0314
Echinococcus multilocularis	cysteine protease	0.0026	0.0028	0.0026
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0112	0.0112
Loa Loa (eye worm)	fibroinase	0.0026	0.0028	0.0028
Brugia malayi	Choline O-acetyltransferase	0.0213	0.1082	0.1057
Schistosoma mansoni	hypothetical protein	0.035	0.1858	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0026	0.0028	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0028	0.5
Loa Loa (eye worm)	hypothetical protein	0.0066	0.025	0.025
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0192	0.0314
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0213	0.1082	0.1859
Schistosoma mansoni	hypothetical protein	0.0025	0.002	0.0039
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0028	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0028	0.5
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0311	0.1616
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0058	0.0205	0.104
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0066	0.025	0.0417
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0066	0.025	0.1284
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.0028	0.5
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0205	0.104
Loa Loa (eye worm)	cysteine protease	0.0026	0.0028	0.0028
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0227	0.1162	0.2021
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0287	0.0482
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.0028	0.0081
Echinococcus multilocularis	cysteine protease	0.0026	0.0028	0.0026
Trypanosoma cruzi	hypothetical protein, conserved	0.0213	0.1082	0.1859
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0112	0.0084
Trypanosoma brucei	hypothetical protein, conserved	0.0213	0.1082	0.6615
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0205	0.104
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0028	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.0028	0.0081
Plasmodium vivax	vivapain-2	0.0026	0.0028	0.5
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0026	0.0028	0.0026
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0192	0.0968

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.0032 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 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)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Saccharomyces cerevisiae	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: CHEMBL1474221

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 1359340