TDR Targets

Basic information

Technical information

TDR Targets ID: 1308190
Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[ 3-[4-(phenylmethyl)piperidin-1-yl]propyl]benz amide
MW: 519.698 | Formula: C30H37N3O3S
H donors: 2 H acceptors: 3 LogP: 5.12 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCCN1CCC(CC1)Cc1ccccc1
InChi: 1S/C30H37N3O3S/c1-24-8-14-29(15-9-24)37(35,36)32-23-27-10-12-28(13-11-27)30(34)31-18-5-19-33-20-16-26(17-21-33)22-25-6-3-2-4-7-25/h2-4,6-15,26,32H,5,16-23H2,1H3,(H,31,34)
InChiKey: KGHFWCMCDKEYQB-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-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-[4-(phenylmethyl)-1-piperidyl]propyl]benzamide
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]benzamide
N-[3-[4-(benzyl)-1-piperidyl]propyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
MLS000682481
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzamide
SMR000314962

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642

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
Mycobacterium ulcerans	hypothetical protein	0.0223	0.0166	1
Schistosoma mansoni	cpg binding protein	0.0037	0.0024	0.0024
Mycobacterium ulcerans	esterase LipW	0.0223	0.0166	1
Mycobacterium ulcerans	esterase/lipase	0.0223	0.0166	1
Brugia malayi	Carboxylesterase family protein	0.0013	0.0006	0.0091
Schistosoma mansoni	hypothetical protein	0.0058	0.004	0.004
Mycobacterium tuberculosis	Probable lipase/esterase LipN	0.0223	0.0166	1
Schistosoma mansoni	acetylcholinesterase	0.0013	0.0006	0.0006
Loa Loa (eye worm)	carboxylesterase	0.0013	0.0006	0.0002
Mycobacterium tuberculosis	Probable non lipolytic carboxylesterase NlhH	0.0223	0.0166	1
Trichomonas vaginalis	Esterase, putative	0.0223	0.0166	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.004	0.1733
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0013	0.0006	0.0006
Echinococcus granulosus	cpg binding protein	0.0037	0.0024	0.0021
Echinococcus granulosus	acetylcholinesterase	0.0078	0.0055	0.0052
Trypanosoma cruzi	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0223	0.0166	0.5
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0006	0.0002
Loa Loa (eye worm)	acetylcholinesterase 1	0.0078	0.0055	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0006	0.0002
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0078	0.0055	0.0055
Trichomonas vaginalis	spcc417.12 protein, putative	0.0013	0.0006	0.0244
Mycobacterium tuberculosis	Probable carboxylesterase LipQ	0.0223	0.0166	1
Mycobacterium tuberculosis	Possible esterase LipW	0.0223	0.0166	1
Mycobacterium tuberculosis	Probable esterase LipM	0.0223	0.0166	1
Trichomonas vaginalis	Esterase, putative	0.0223	0.0166	1
Brugia malayi	Carboxylesterase family protein	0.0078	0.0055	0.2435
Echinococcus multilocularis	hormone sensitive lipase	1.3166	1	1
Schistosoma mansoni	cpg binding protein	0.0037	0.0024	0.0024
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0023	0.0018
Toxoplasma gondii	alpha/beta hydrolase fold domain-containing protein	0.0223	0.0166	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0223	0.0166	0.0166
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0023	0.0876
Mycobacterium ulcerans	esterase LipC	0.0223	0.0166	1
Brugia malayi	aryl-acylamidase	0.0223	0.0166	0.7724
Echinococcus granulosus	BC026374 protein S09 family	0.0013	0.0006	0.0003
Trypanosoma brucei	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0223	0.0166	0.5
Onchocerca volvulus		0.0223	0.0166	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0013	0.0006	0.0006
Loa Loa (eye worm)	ammd protein	0.0223	0.0166	0.0161
Echinococcus multilocularis	neuroligin	0.0013	0.0006	0.0003
Echinococcus multilocularis	cpg binding protein	0.0037	0.0024	0.0021
Schistosoma mansoni	gliotactin	0.0013	0.0006	0.0006
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	1.3166	1	1
Brugia malayi	Carboxylesterase family protein	0.0013	0.0006	0.0091
Mycobacterium leprae	Possible lipase LipU	0.0223	0.0166	0.5
Mycobacterium tuberculosis	Probable lipase LipH	0.0223	0.0166	1
Schistosoma mansoni	hypothetical protein	0.0494	0.0372	0.0372
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0052	0.0052
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0003	0.0003
Mycobacterium ulcerans	lipase/esterase LipN	0.0223	0.0166	1
Onchocerca volvulus		0.0058	0.004	0.2151
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0013	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0006	0.0002
Mycobacterium tuberculosis	Probable esterase/lipase LipF	0.0223	0.0166	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0013	0.0006	0.0003
Mycobacterium ulcerans	lipase LipI	0.0223	0.0166	1
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.0372	0.0369
Trypanosoma cruzi	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0223	0.0166	0.5
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9D	0.0223	0.0166	0.5
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	1.3166	1	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0004	0.0002
Loa Loa (eye worm)	aryl-acylamidase	0.0223	0.0166	0.0161
Leishmania major	ecotin, putative	0.0223	0.0166	0.5
Trypanosoma cruzi	Alpha/beta hydrolase domain-containing protein	0.0223	0.0166	0.5
Loa Loa (eye worm)	carboxylesterase	0.0078	0.0055	0.0051
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0004	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0006	0.0002
Echinococcus multilocularis	acetylcholinesterase	0.0078	0.0055	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0055	0.0051
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0013	0.0006	0.0244
Mycobacterium ulcerans	esterase LipO	0.0223	0.0166	1
Mycobacterium tuberculosis	Putative acetyl hydrolase MbtJ	0.0223	0.0166	1
Mycobacterium tuberculosis	Possible lipase LipU	0.0223	0.0166	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0013	0.0006	0.0003
Trichomonas vaginalis	Esterase, putative	0.0223	0.0166	1
Echinococcus granulosus	acetylcholinesterase	0.0078	0.0055	0.0052
Mycobacterium ulcerans	lipase LipU	0.0223	0.0166	1
Treponema pallidum	N-acetylphosphinothricin-tripetide-deacetylase	0.0223	0.0166	0.5
Echinococcus multilocularis	para nitrobenzyl esterase	0.0013	0.0006	0.0003
Echinococcus granulosus	carboxylesterase 5A	0.0078	0.0055	0.0052
Brugia malayi	Carboxylesterase family protein	0.0078	0.0055	0.2435
Onchocerca volvulus		0.0035	0.0023	0.1028
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0013	0.0006	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0006	0.0002
Toxoplasma gondii	alpha/beta hydrolase fold domain-containing protein	0.0223	0.0166	1
Brugia malayi	Carboxylesterase family protein	0.0013	0.0006	0.0091
Mycobacterium tuberculosis	Probable esterase LipO	0.0223	0.0166	1
Brugia malayi	Carboxylesterase family protein	0.0013	0.0006	0.0091
Loa Loa (eye worm)	hypothetical protein	1.3166	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0006	0.0002
Schistosoma mansoni	survival motor neuron protein	0.0058	0.004	0.004
Mycobacterium tuberculosis	Probable esterase LipC	0.0223	0.0166	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0006	0.0002
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0013	0.0006	0.0006
Trichomonas vaginalis	conserved hypothetical protein	0.0223	0.0166	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.0213	0.021
Loa Loa (eye worm)	hypothetical protein	0.0286	0.0213	0.0209
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.0213	0.021
Schistosoma mansoni	cpg binding protein	0.0035	0.0023	0.0023
Mycobacterium ulcerans	lipase LipU	0.0223	0.0166	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0013	0.0006	0.0003
Loa Loa (eye worm)	carboxylesterase	0.0013	0.0006	0.0002
Mycobacterium ulcerans	membrane-bound esterase LipM	0.0223	0.0166	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	1.3166	1	1
Leishmania major	hypothetical protein, conserved	0.0223	0.0166	0.5
Echinococcus multilocularis	carboxylesterase 5A	0.0078	0.0055	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0055	0.0051
Mycobacterium ulcerans	carboxylesterase LipQ	0.0223	0.0166	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0013	0.0006	0.0006
Brugia malayi	hypothetical protein	0.0286	0.0213	1
Mycobacterium ulcerans	acetyl hydrolase MbtJ	0.0223	0.0166	1
Mycobacterium tuberculosis	Probable acetyl-hydrolase/esterase LipR	0.0223	0.0166	1
Brugia malayi	hypothetical protein	0.0013	0.0006	0.0091
Echinococcus multilocularis	acetylcholinesterase	0.0078	0.0055	0.0052
Echinococcus granulosus	neuroligin	0.0013	0.0006	0.0003
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.0372	0.0369
Mycobacterium ulcerans	lipase LipH	0.0223	0.0166	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2512 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 0.3162 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 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)	18.526 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)	28.1838 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	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
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	89.1251 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

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: CHEMBL1419591

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 1308190