TDR Targets

Basic information

Technical information

TDR Targets ID: 157762
Name: 4-[3-(2-dimethylaminoethyl)-5-methoxyindol-1- yl]sulfonylaniline
MW: 373.469 | Formula: C19H23N3O3S
H donors: 1 H acceptors: 2 LogP: 2.82 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(cc1)N
InChi: 1S/C19H23N3O3S/c1-21(2)11-10-14-13-22(19-9-6-16(25-3)12-18(14)19)26(23,24)17-7-4-15(20)5-8-17/h4-9,12-13H,10-11,20H2,1-3H3
InChiKey: AVDFAXBYOZRKJH-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-[3-(2-dimethylaminoethyl)-5-methoxy-indol-1-yl]sulfonylaniline
4-[[3-(2-dimethylaminoethyl)-5-methoxy-1-indolyl]sulfonyl]aniline
2-(5-methoxy-1-sulfanilyl-indol-3-yl)ethyl-dimethyl-amine
2-[1-(4-aminophenyl)sulfonyl-5-methoxy-indol-3-yl]ethyl-dimethyl-amine
PDSP1_000380
PDSP2_000378

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	Get druggable targets OG5_145685	All targets in OG5_145685
Echinococcus granulosus	tm gpcr rhodopsin	Get druggable targets OG5_145685	All targets in OG5_145685

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
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.013	0.0671	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0014	0.002
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0563	0.5297	1
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Echinococcus multilocularis	Hepatocellular carcinoma associated antigen 59	0.0128	0.0647	0.0647
Giardia lamblia	Kinase, CMGC DYRK	0.0563	0.5297	1
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.013	0.0671	0.0951
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0102	0.0372	0.0527
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.013	0.0671	0.0671
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0647	0.0916
Schistosoma mansoni	serine/threonine protein kinase	0.013	0.0671	0.0959
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0647	0.0916
Trichomonas vaginalis	CMGC family protein kinase	0.013	0.0671	0.1267
Onchocerca volvulus	Putative endochitinase	0.009	0.0245	0.3781
Echinococcus multilocularis	carboxylesterase 5A	0.0399	0.3544	0.3544
Echinococcus granulosus	mitogen activated protein kinase 15	0.013	0.0671	0.0671
Brugia malayi	Protein kinase domain containing protein	0.013	0.0671	0.0959
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Loa Loa (eye worm)	chitinase I	0.0081	0.0141	0.0199
Echinococcus granulosus	cyclin dependent kinase 9	0.013	0.0671	0.0671
Entamoeba histolytica	protein kinase domain containing protein	0.0102	0.0372	0.0449
Entamoeba histolytica	hypothetical protein	0.0125	0.0614	0.0917
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.013	0.0671	0.0951
Echinococcus multilocularis	acetylcholinesterase	0.0399	0.3544	0.3544
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0563	0.5297	1
Entamoeba histolytica	protein kinase, putative	0.0102	0.0372	0.0449
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Brugia malayi	Hepatocellular carcinoma-associated antigen 59 family protein	0.0128	0.0647	0.0924
Schistosoma mansoni	serine/threonine kinase	0.013	0.0671	0.0959
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Brugia malayi	Protein kinase domain containing protein	0.0102	0.0372	0.0532
Entamoeba histolytica	protein kinase domain containing protein	0.0563	0.5297	1
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.013	0.0671	0.0607
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.013	0.0671	0.0607
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0722	0.7001	0.7001
Mycobacterium tuberculosis	Possible chitinase	0.0069	0.0014	1
Echinococcus granulosus	acetylcholinesterase	0.0399	0.3544	0.3544
Leishmania major	serine/threonine kinase-like protein, putative	0.013	0.0671	0.1029
Echinococcus granulosus	dual specificity	0.0563	0.5297	0.5297
Trichomonas vaginalis	AGC family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CMGC family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Entamoeba histolytica	hypothetical protein	0.0102	0.0372	0.0449
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Onchocerca volvulus	Putative endochitinase	0.0081	0.0141	0.2176
Echinococcus multilocularis	dual specificity	0.0563	0.5297	0.5297
Echinococcus granulosus	dual specificity	0.0102	0.0372	0.0372
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Schistosoma mansoni	protein kinase	0.013	0.0671	0.0959
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0125	0.0614	0.0614
Echinococcus granulosus	acetylcholinesterase	0.0399	0.3544	0.3544
Trichomonas vaginalis	AGC family protein kinase	0.013	0.0671	0.1267
Brugia malayi	hypothetical protein	0.0722	0.7001	1
Brugia malayi	Cell division protein kinase 2	0.013	0.0671	0.0959
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Schistosoma mansoni	serine/threonine protein kinase	0.0102	0.0372	0.0532
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.013	0.0671	0.1267
Entamoeba histolytica	protein kinase, putative	0.0102	0.0372	0.0449
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Echinococcus granulosus	serine:threonine protein kinase NLK	0.013	0.0671	0.0671
Entamoeba histolytica	cell division protein kinase 2, putative	0.013	0.0671	0.1029
Schistosoma mansoni	hypothetical protein	0.0125	0.0614	0.0877
Trichomonas vaginalis	AGC family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CMGC family protein kinase	0.013	0.0671	0.1267
Echinococcus multilocularis	cyclin dependent kinase 9	0.013	0.0671	0.0671
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.013	0.0671	0.1029
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0722	0.7001	0.7001
Trypanosoma brucei	protein kinase, putative	0.013	0.0671	0.0607
Trichomonas vaginalis	CMGC family protein kinase	0.0563	0.5297	1
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0563	0.5297	1
Entamoeba histolytica	protein kinase domain containing protein	0.013	0.0671	0.1029
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0563	0.5297	1
Entamoeba histolytica	protein kinase, putative	0.0563	0.5297	1
Loa Loa (eye worm)	cuticular endochitinase	0.0081	0.0141	0.0199
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Onchocerca volvulus		0.0128	0.0647	1
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.013	0.0671	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0722	0.7001	0.7001
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Echinococcus multilocularis	dual specificity	0.0102	0.0372	0.0372
Brugia malayi	GSG2	0.0722	0.7001	1
Loa Loa (eye worm)	haspin protein kinase	0.0728	0.7058	1
Loa Loa (eye worm)	haspin protein kinase	0.0722	0.7001	0.9919
Trichomonas vaginalis	AGC family protein kinase	0.013	0.0671	0.1267
Loa Loa (eye worm)	microfilarial chitinase	0.0078	0.0118	0.0167
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0722	0.7001	0.7001
Trichomonas vaginalis	CMGC family protein kinase	0.0563	0.5297	1
Echinococcus granulosus	carboxylesterase 5A	0.0399	0.3544	0.3544
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Loa Loa (eye worm)	acetylcholinesterase 1	0.0399	0.3544	0.5022
Onchocerca volvulus	Putative endochitinase	0.009	0.0245	0.3781
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Echinococcus multilocularis	dual specificity	0.0563	0.5297	0.5297
Mycobacterium ulcerans	chitinase/cellulase	0.0069	0.0014	1
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.013	0.0671	0.0607
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Loa Loa (eye worm)	haspin protein kinase	0.0722	0.7001	0.9919
Echinococcus multilocularis	acetylcholinesterase	0.0399	0.3544	0.3544
Brugia malayi	Carboxylesterase family protein	0.0399	0.3544	0.5063
Trichomonas vaginalis	CMGC family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CMGC family protein kinase	0.0563	0.5297	1
Brugia malayi	endochitinase	0.0081	0.0141	0.0201
Echinococcus granulosus	Hepatocellular carcinoma associated antigen 59	0.0128	0.0647	0.0647
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0722	0.7001	0.7001
Trichomonas vaginalis	CMGC family protein kinase	0.0563	0.5297	1
Trichomonas vaginalis	AGC family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Brugia malayi	endochitinase	0.009	0.0245	0.0349
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.013	0.0671	1
Trichomonas vaginalis	CMGC family protein kinase	0.0563	0.5297	1
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.013	0.0671	0.0671
Trichomonas vaginalis	AGC family protein kinase	0.013	0.0671	0.1267
Brugia malayi	Endochitinase	0.009	0.0245	0.0349
Onchocerca volvulus	Putative endochitinase	0.0081	0.0141	0.2176
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0563	0.5297	0.7505
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	protein kinase atmrk1, putative	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0315	0.0446
Schistosoma mansoni	hypothetical protein	0.0128	0.0647	0.0924
Onchocerca volvulus		0.0128	0.0647	1
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Schistosoma mansoni	hypothetical protein	0.0722	0.7001	1
Loa Loa (eye worm)	carboxylesterase	0.0399	0.3544	0.5022
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Echinococcus granulosus	dual specificity	0.0563	0.5297	0.5297
Echinococcus multilocularis	hypothetical protein	0.0125	0.0614	0.0614
Trichomonas vaginalis	CMGC family protein kinase	0.0563	0.5297	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0399	0.3544	0.5063
Trichomonas vaginalis	AGC family protein kinase	0.013	0.0671	0.1267
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0315	0.0446
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1003	1	1
Echinococcus granulosus	dual specificity	0.0563	0.5297	0.5297
Brugia malayi	Carboxylesterase family protein	0.0399	0.3544	0.5063
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Mycobacterium ulcerans	chitinase/cellulase	0.0069	0.0014	1
Loa Loa (eye worm)	hypothetical protein	0.0399	0.3544	0.5022
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0102	0.0372	0.0449
Schistosoma mansoni	serine/threonine protein kinase	0.0563	0.5297	0.7566
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Plasmodium falciparum	MO15-related protein kinase	0.013	0.0671	1
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.013	0.0671	0.0671
Loa Loa (eye worm)	hypothetical protein	0.0399	0.3544	0.5022
Echinococcus multilocularis	dual specificity	0.0563	0.5297	0.5297
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0563	0.5297	0.7566
Brugia malayi	cyclin-dependent kinase 7 homolog	0.013	0.0671	0.0959
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Trichomonas vaginalis	serine/threonine kinase, putative	0.013	0.0671	0.1267
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0671	0.1267
Onchocerca volvulus	Putative endochitinase	0.009	0.0245	0.3781

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.6 nM	Binding affinity against 5-hydroxytryptamine 6 receptor	ChEMBL.	15357994
Ki (binding)	= 0.6 nM	Binding affinity against 5-hydroxytryptamine 6 receptor	ChEMBL.	15357994
Ki (binding)	= 2 nM	Binding affinity towards human 5-hydroxytryptamine 6 receptor	ChEMBL.	12825922
Ki (binding)	= 2 nM	Binding affinity towards human 5-hydroxytryptamine 6 receptor	ChEMBL.	12951125
Ki (binding)	= 2 nM	Binding affinity towards human 5-hydroxytryptamine 6 receptor	ChEMBL.	12825922
Ki (binding)	= 2 nM	Binding affinity towards human 5-hydroxytryptamine 6 receptor	ChEMBL.	12951125

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: CHEMBL94569
PubChem: 23844114

Bibliographic References

3 literature references were 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 157762