TDR Targets

Basic information

Technical information

TDR Targets ID: 1722465
Name: N-[2-methoxy-5-(5-propan-2-yloxyindol-1-yl)su lfonylphenyl]-1-methylpiperidin-4-amine
MW: 457.586 | Formula: C24H31N3O4S
H donors: 1 H acceptors: 2 LogP: 4.55 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1NC1CCN(CC1)C)S(=O)(=O)n1ccc2c1ccc(c2)OC(C)C
InChi: 1S/C24H31N3O4S/c1-17(2)31-20-5-7-23-18(15-20)9-14-27(23)32(28,29)21-6-8-24(30-4)22(16-21)25-19-10-12-26(3)13-11-19/h5-9,14-17,19,25H,10-13H2,1-4H3
InChiKey: MLAKNKKHVMHLQF-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-[5-(5-isopropoxyindol-1-yl)sulfonyl-2-methoxy-phenyl]-1-methyl-piperidin-4-amine
N-[5-[(5-isopropoxy-1-indolyl)sulfonyl]-2-methoxyphenyl]-1-methyl-4-piperidinamine
[5-(5-isopropoxyindol-1-yl)sulfonyl-2-methoxy-phenyl]-(1-methyl-4-piperidyl)amine
N-[2-methoxy-5-(5-propan-2-yloxyindol-1-yl)sulfonyl-phenyl]-1-methyl-piperidin-4-amine

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)	pigment dispersing factor receptor c	0.0051	0.0175	0.0175
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.002	0.004	0.005
Trypanosoma brucei	calpain-like protein, putative	0.002	0.004	0.005
Echinococcus granulosus	calpain A	0.002	0.004	0.0259
Trypanosoma cruzi	hypothetical protein, conserved	0.0722	0.3052	1
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0028	0.0076	0.1167
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0157	0.2428
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.0044	0.0145	0.0397
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0162	0.0648	1
Plasmodium vivax	methionine aminopeptidase 1b, putative	0.0044	0.0145	1
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0025	0.0162
Leishmania major	hypothetical protein, conserved	0.0722	0.3052	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0175	0.0175
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.004	0.005
Trypanosoma brucei	calpain-like protein, putative	0.002	0.004	0.005
Schistosoma mansoni	calpain-7 (C02 family)	0.002	0.004	0.0617
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.004	0.005
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0157	0.2428
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0044	0.0145	0.0397
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0168	0.0677	0.439
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0175	0.0175
Schistosoma mansoni	hypothetical protein	0.0042	0.0136	0.2104
Trypanosoma brucei	kinesin, putative	0.002	0.004	0.005
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0136	0.2104
Echinococcus multilocularis	calpain 5	0.002	0.004	0.0259
Trypanosoma brucei	calpain-like protein, putative	0.002	0.004	0.005
Trypanosoma brucei	calpain-like protein, putative	0.002	0.004	0.005
Entamoeba histolytica	hypothetical protein	0.0042	0.0136	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0066	0.024	0.024
Treponema pallidum	methionine aminopeptidase (map)	0.0028	0.0076	0.5
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0028	0.0076	0.5
Brugia malayi	hypothetical protein	0.0042	0.0136	0.0136
Echinococcus granulosus	calpain 7 C02 family	0.002	0.004	0.0259
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0168	0.0677	0.439
Echinococcus multilocularis	calpain family protein 1, d	0.0047	0.0155	0.1005
Brugia malayi	Methionine aminopeptidase protein type I	0.0044	0.0145	0.0145
Echinococcus granulosus	calpain 5	0.002	0.004	0.0259
Echinococcus granulosus	calpain A	0.007	0.0254	0.1648
Toxoplasma gondii	methionine aminopeptidase, type i, putative	0.0028	0.0076	0.422
Trypanosoma cruzi	hypothetical protein, conserved	0.0722	0.3052	1
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.0044	0.0145	0.094
Plasmodium vivax	calpain, putative	0.002	0.004	0.1259
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.004	0.005
Chlamydia trachomatis	methionine aminopeptidase	0.0028	0.0076	0.5
Schistosoma mansoni	hypothetical protein	0.0035	0.0106	0.1633
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0157	0.1019
Trypanosoma cruzi	kinesin, putative	0.002	0.004	0.005
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.004	0.005
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0157	0.1019
Toxoplasma gondii	methionine aminopeptidase	0.0028	0.0076	0.422
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0028	0.0076	0.5
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.037	0.1543	1
Schistosoma mansoni	hypothetical protein	0.0087	0.0328	0.5067
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0028	0.0076	0.1167
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0044	0.0145	0.0397
Echinococcus granulosus	calpain	0.002	0.004	0.0259
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0044	0.0145	0.094
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.0044	0.0145	0.0397
Brugia malayi	Cache domain containing protein	0.0075	0.0275	0.0275
Brugia malayi	calpain 5	0.002	0.004	0.004
Schistosoma mansoni	calpain C (C02 family)	0.002	0.004	0.0617
Onchocerca volvulus		0.0047	0.0155	0.0155
Echinococcus multilocularis	hypothetical protein	0.002	0.004	0.0259
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0025	0.0162
Schistosoma mansoni	serine-rich repeat protein	0.0087	0.0328	0.5067
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.002	0.004	0.005
Echinococcus granulosus	GPCR family 2	0.0016	0.0025	0.0162
Schistosoma mansoni	Mername-AA248 (C02 family)	0.002	0.004	0.0617
Loa Loa (eye worm)	calpain	0.002	0.004	0.004
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0025	0.0025
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.004	0.005
Plasmodium falciparum	methionine aminopeptidase 1b, putative	0.0044	0.0145	1
Plasmodium falciparum	methionine aminopeptidase 1a, putative	0.0028	0.0076	0.422
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0028	0.0076	0.5
Schistosoma mansoni	calpain-7 (C02 family)	0.002	0.004	0.0617
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0081	0.0305	0.47
Brugia malayi	calpain family protein 1	0.0066	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0155	0.0155
Entamoeba histolytica	hypothetical protein	0.0042	0.0136	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0106	0.0106
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0106	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0066	0.024	0.024
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.004	0.005
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0136	0.0883
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0025	0.0162
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0136	0.0883
Echinococcus multilocularis	calpain A	0.007	0.0254	0.1648
Loa Loa (eye worm)	calpain family protein 1	0.0066	0.024	0.024
Leishmania major	kinesin, putative	0.002	0.004	0.005
Loa Loa (eye worm)	calpain family protein 1	0.0047	0.0155	0.0155
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0044	0.0145	0.0397
Trypanosoma cruzi	kinesin, putative	0.002	0.004	0.005
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0186	0.0752	0.0752
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0275	0.0275
Trypanosoma brucei	methionine aminopeptidase, putative	0.0044	0.0145	0.0397
Echinococcus multilocularis	calpain 7 (C02 family)	0.002	0.004	0.0259
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0028	0.0076	0.049
Entamoeba histolytica	hypothetical protein	0.0042	0.0136	0.0097
Trypanosoma brucei	antigen, putative	0.002	0.004	0.005
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0157	0.1019
Loa Loa (eye worm)	calpain 5	0.002	0.004	0.004
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0025	0.0162
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0157	0.1019
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.004	0.005
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.007	0.0254	0.3924
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.1621	0.6904	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0157	0.0157
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0025	0.0025
Schistosoma mansoni	hypothetical protein	0.0016	0.0025	0.0386
Brugia malayi	N-terminal motif family protein	0.0186	0.0752	0.0752
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.004	0.005
Plasmodium vivax	methionine aminopeptidase 1a, putative	0.0028	0.0076	0.422
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0025	0.0025
Echinococcus granulosus	voltage dependent calcium channel subunit	0.037	0.1543	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0157	0.2428
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0722	0.3052	1
Schistosoma mansoni	calpain (C02 family)	0.002	0.004	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0175
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.007	0.0254	0.3924
Schistosoma mansoni	hypothetical protein	0.0016	0.0025	0.0386
Echinococcus multilocularis	calpain	0.002	0.004	0.0259
Brugia malayi	calpain 7	0.002	0.004	0.004
Schistosoma mansoni	hypothetical protein	0.0016	0.0025	0.0386
Loa Loa (eye worm)	methionine aminopeptidase type I	0.0044	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0025	0.0025
Toxoplasma gondii	methionine aminopeptidase	0.0044	0.0145	1
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.004	0.005
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.007	0.0254	0.1648
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.007	0.0254	0.1648
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.002	0.004	0.005
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.004	0.005
Entamoeba histolytica	hypothetical protein	0.0042	0.0136	0.0097
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.004	0.005
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0066	0.024	0.37
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0025	0.0162
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.004	0.005
Loa Loa (eye worm)	hypothetical protein	0.0186	0.0752	0.0752
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0157	0.0157
Brugia malayi	calpain family protein 1	0.0066	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0155	0.0155
Schistosoma mansoni	hypothetical protein	0.0016	0.0025	0.0386

Activities

Activity type	Activity value	Assay description	Source	Reference
Imax (functional)	= 100 %	Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells assessed as inhibition of 5HT-induced luciferase activity after 4 hrs by reporter gene assay relative to control	ChEMBL.	23006002
Kb (functional)	= 2.2 nM	Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells assessed as inhibition of 5HT-induced luciferase activity after 4 hrs by reporter gene assay	ChEMBL.	23006002

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: CHEMBL2179214

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 1722465