TDR Targets

Basic information

Technical information

TDR Targets ID: 1583519
Name: 1-methyl-N-(2-phenylethyl)-5-piperidin-1-ylsu lfonylindole-2-carboxamide
MW: 425.544 | Formula: C23H27N3O3S
H donors: 1 H acceptors: 3 LogP: 3.56 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cc2c(n1C)ccc(c2)S(=O)(=O)N1CCCCC1)NCCc1ccccc1
InChi: 1S/C23H27N3O3S/c1-25-21-11-10-20(30(28,29)26-14-6-3-7-15-26)16-19(21)17-22(25)23(27)24-13-12-18-8-4-2-5-9-18/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3,(H,24,27)
InChiKey: FSTDRYUKHXYCBR-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

1-methyl-N-(2-phenylethyl)-5-(1-piperidylsulfonyl)indole-2-carboxamide
1-methyl-N-(2-phenylethyl)-5-(1-piperidylsulfonyl)-2-indolecarboxamide
1-methyl-N-(2-phenylethyl)-5-piperidinosulfonyl-indole-2-carboxamide
1-methyl-N-(2-phenylethyl)-5-piperidin-1-ylsulfonyl-indole-2-carboxamide
G732-1289
NCGC00133363-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0102	0.0102
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0374	0.0829	0.0829
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0045	0.0045
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0374	0.0829	0.0829
Giardia lamblia	PHD finger protein 15	0.0029	0.0031	0.5
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0374	0.0829	0.5
Loa Loa (eye worm)	MBOAT family protein	0.0374	0.0829	0.0829
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0035	0.0045	0.0546
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0374	0.0829	0.0829
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0374	0.0829	0.0829
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0031	0.0369
Trypanosoma cruzi	glycerol uptake protein, putative	0.0374	0.0829	1
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0374	0.0829	0.0829
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0374	0.0829	0.0829
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0374	0.0829	0.0829
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0000059102	0.0000059102
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0297	0.0297
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.0183	0.0183
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0057	0.0057
Leishmania major	glycerol uptake protein, putative	0.0374	0.0829	1
Loa Loa (eye worm)	hhat protein	0.0374	0.0829	0.0829
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0035	0.0045	0.0546
Toxoplasma gondii	hypothetical protein	0.0374	0.0829	1
Loa Loa (eye worm)	hypothetical protein	0.0374	0.0829	0.0829
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0031	0.0369
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0374	0.0829	0.0829
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0078	0.0078
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0374	0.0829	0.0829
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0297	0.0297
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0374	0.0829	0.0829
Brugia malayi	jmjC domain containing protein	0.0035	0.0045	0.0045
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0045	0.0045
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0000059102	0.0000059102
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0000059102	0.0000059102
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0374	0.0829	0.5
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0323	0.0323
Schistosoma mansoni	hypothetical protein	0.0034	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0031	0.0031
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0374	0.0829	0.0829
Toxoplasma gondii	Erv1 / Alr family protein	0.0035	0.0045	0.0546
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0374	0.0829	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0000059102	0.0000059102
Leishmania major	glycerol uptake protein, putative	0.0374	0.0829	1
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0035	0.0045	0.0045
Echinococcus granulosus	sterol O acyltransferase 1	0.0374	0.0829	0.0829
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0000059102	0.0000059102
Trichomonas vaginalis	porcupine, putative	0.0374	0.0829	0.5
Brugia malayi	hypothetical protein	0.0155	0.0323	0.0323
Loa Loa (eye worm)	hhat protein	0.0374	0.0829	0.0829
Brugia malayi	MBOAT family protein	0.0374	0.0829	0.0829
Loa Loa (eye worm)	hypothetical protein	0.0374	0.0829	0.0829
Trichomonas vaginalis	conserved hypothetical protein	0.0374	0.0829	0.5
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0035	0.0045	0.0546
Brugia malayi	MBOAT family protein	0.0374	0.0829	0.0829
Echinococcus multilocularis	zinc finger protein	0.3964	0.9135	0.9135
Trypanosoma cruzi	glycerol uptake protein, putative	0.0374	0.0829	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0045	0.0045
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0042	0.0042
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0000059102	0.0000059102
Trypanosoma cruzi	GUP1, putative	0.0374	0.0829	1
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0374	0.0829	0.0829
Schistosoma mansoni	hypothetical protein	0.0374	0.0829	0.0829
Leishmania major	hypothetical protein, conserved	0.0374	0.0829	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0000059102	0.0000059102
Entamoeba histolytica	vacuolar protein sorting 26	0.0374	0.0829	0.5
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.4338	1	1
Entamoeba histolytica	hypothetical protein	0.0374	0.0829	0.5
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0000059102	0.0000059102
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0035	0.0045	0.0546
Leishmania major	glycerol uptake protein, putative	0.0374	0.0829	1
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0374	0.0829	0.5
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0035	0.0045	0.0546
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0031	0.0031
Schistosoma mansoni	sterol O-acyltransferase 1	0.0374	0.0829	0.0829
Onchocerca volvulus		0.0374	0.0829	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0078	0.0078
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0374	0.0829	1
Treponema pallidum	alginate O-acetylation protein (algI)	0.0374	0.0829	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0078	0.0078
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0374	0.0829	0.0829
Toxoplasma gondii	Erv1 / Alr family protein	0.0035	0.0045	0.0546
Brugia malayi	MBOAT family protein	0.0374	0.0829	0.0829
Loa Loa (eye worm)	hypothetical protein	0.0374	0.0829	0.0829
Trypanosoma cruzi	glycerol uptake protein, putative	0.0374	0.0829	1
Brugia malayi	Augmenter of liver regeneration	0.0035	0.0045	0.0045
Loa Loa (eye worm)	MBOAT family protein	0.0374	0.0829	0.0829
Leishmania major	glycerol uptake protein, putative	0.0374	0.0829	1
Schistosoma mansoni	hypothetical protein	0.0029	0.0031	0.0031
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0374	0.0829	0.0829
Entamoeba histolytica	hypothetical protein, conserved	0.0374	0.0829	0.5
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0031	0.0031
Brugia malayi	MBOAT family protein	0.0374	0.0829	0.0829
Leishmania major	hypothetical protein, conserved	0.0035	0.0045	0.0546
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0374	0.0829	0.0829
Onchocerca volvulus		0.0155	0.0323	0.3659
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0031	0.0369
Echinococcus granulosus	peregrin	0.0029	0.0031	0.0031
Trypanosoma cruzi	GUP1, putative	0.0374	0.0829	1
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0374	0.0829	1
Loa Loa (eye worm)	hepatopoietin HPO2	0.0035	0.0045	0.0045
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0031	0.0031
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0035	0.0045	0.0045
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0045	0.0045
Trichomonas vaginalis	conserved hypothetical protein	0.0374	0.0829	0.5
Trypanosoma brucei	glycerol uptake protein, putative	0.0374	0.0829	1
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0374	0.0829	0.0829
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0374	0.0829	0.0829
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0374	0.0829	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0078	0.0078
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0078	0.0078
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0374	0.0829	0.0829
Brugia malayi	diacylglycerol acyltransferase	0.0374	0.0829	0.0829
Brugia malayi	Bromodomain containing protein	0.0029	0.0031	0.0031
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.0138	0.0138
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0031	0.0369
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0374	0.0829	0.0829
Brugia malayi	MH2 domain containing protein	0.0144	0.0297	0.0297
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0035	0.0045	0.0546
Brugia malayi	Hhat protein	0.0374	0.0829	0.0829
Brugia malayi	jmjC domain containing protein	0.0095	0.0183	0.0183
Trichomonas vaginalis	conserved hypothetical protein	0.0374	0.0829	0.5
Echinococcus multilocularis	sterol O acyltransferase 1	0.0374	0.0829	0.0829
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0374	0.0829	0.5
Echinococcus multilocularis	peregrin	0.0029	0.0031	0.0031
Loa Loa (eye worm)	MBOAT family protein	0.4338	1	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.0183	0.0183
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0000059102	0.0000059102
Leishmania major	glycerol uptake protein, putative	0.0374	0.0829	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0374	0.0829	0.0829
Schistosoma mansoni	zinc finger protein	0.4338	1	1
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.4338	1	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.0000059102	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0000059102	0.0000059102
Echinococcus granulosus	zinc finger protein	0.3964	0.9135	0.9135
Brugia malayi	PHD-finger family protein	0.0029	0.0031	0.0031
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0374	0.0829	0.0829
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0374	0.0829	0.0829
Trypanosoma brucei	glycerol uptake protein, putative	0.0374	0.0829	1
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0042	0.0042
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0045	0.0045
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0374	0.0829	0.0829

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.9433 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)	22.3872 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1891449

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1583519