TDR Targets

Basic information

Technical information

TDR Targets ID: 506203
Name: N-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1 -yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamid e
MW: 420.57 | Formula: C24H28N4OS
H donors: 1 H acceptors: 2 LogP: 4.08 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)NC1CCc2c1ccc(c2)CCN1CCN(CC1)c1nsc2c1cccc2
InChi: 1S/C24H28N4OS/c1-17(29)25-22-9-7-19-16-18(6-8-20(19)22)10-11-27-12-14-28(15-13-27)24-21-4-2-3-5-23(21)30-26-24/h2-6,8,16,22H,7,9-15H2,1H3,(H,25,29)
InChiKey: IKINOGQZTQWAIL-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-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]indan-1-yl]acetamide
N-[5-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-1-indanyl]acetamide
N-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]ethanamide
N-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]indan-1-yl]acetamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D2	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References
Rattus norvegicus	Alpha-1a adrenergic receptor	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Alpha-1a adrenergic receptor	466 aa	386 aa	31.6 %
Echinococcus multilocularis	neuropeptide Y receptor	Alpha-1a adrenergic receptor	466 aa	419 aa	19.6 %
Echinococcus granulosus	biogenic amine 5HT receptor	Alpha-1a adrenergic receptor	466 aa	418 aa	30.4 %
Schistosoma japonicum	FMRFamide receptor, putative	Alpha-1a adrenergic receptor	466 aa	374 aa	19.5 %
Echinococcus multilocularis	g protein coupled receptor	Alpha-1a adrenergic receptor	466 aa	414 aa	20.3 %
Echinococcus granulosus	g protein coupled receptor	Alpha-1a adrenergic receptor	466 aa	399 aa	20.8 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Alpha-1a adrenergic receptor	466 aa	443 aa	31.2 %
Echinococcus granulosus	g protein coupled receptor	Alpha-1a adrenergic receptor	466 aa	414 aa	20.5 %
Echinococcus granulosus	rhodopsin orphan GPCR	Alpha-1a adrenergic receptor	466 aa	418 aa	20.3 %
Echinococcus multilocularis	g protein coupled receptor	Alpha-1a adrenergic receptor	466 aa	398 aa	21.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0091	0.0449	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0051	0.0138	0.2269
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0061	0.1355
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0051	0.0138	0.0092
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.1308	1	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0091	0.0449	1
Leishmania major	hypothetical protein, conserved	0.0475	0.3462	1
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0051	0.0138	0.0981
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0091	0.0449	0.0405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0057	0.0184	0.4087
Giardia lamblia	GTOR	0.0091	0.0449	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Echinococcus granulosus	biogenic amine 5HT receptor	0.0159	0.0979	0.0937
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0057	0.0184	0.1478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0051	0.0138	0.0981
Loa Loa (eye worm)	hypothetical protein	0.004	0.0046	0.0471
Trypanosoma cruzi	target of rapamycin kinase 3	0.0091	0.0449	0.1352
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0091	0.0449	1
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0116	0.075
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Loa Loa (eye worm)	phosphatidylinositol 3	0.0091	0.0449	0.4592
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0051	0.0138	0.0414
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0116	0.075
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0091	0.0449	0.1352
Echinococcus granulosus	serine protein kinase ATM	0.0051	0.0138	0.0092
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0091	0.0449	1
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0.0184	0.4087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0091	0.0449	0.1352
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Echinococcus multilocularis	serotonin receptor	0.0159	0.0979	0.0937
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0091	0.0449	0.1352
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0061	0.1355
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0046	0.1025
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Echinococcus multilocularis	serine protein kinase ATM	0.0051	0.0138	0.0092
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0051	0.0138	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0979	1
Echinococcus multilocularis	serotonin receptor	0.0159	0.0979	0.0937
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0091	0.0449	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0084	0.0038
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0091	0.0449	0.1352
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0091	0.0449	0.0405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0159	0.0979	1
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0051	0.0138	0.0092
Loa Loa (eye worm)	phosphatidylinositol 3	0.0091	0.0449	0.4592
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0091	0.0449	0.4325
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0084	0.0857
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0051	0.0138	0.2269
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0084	0.0038
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0057	0.0184	0.1478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0091	0.0449	0.4325
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0091	0.0449	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0084	0.0938
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0091	0.0449	0.0405
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0138	0.1406
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0038	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0979	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0091	0.0449	0.0405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0138	0.3062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0449	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0184	0.1877
Trypanosoma cruzi	hypothetical protein, conserved	0.0457	0.3325	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Intrinsic activity (binding)	= 60 %	Displacement of [3H]8OHDPAT from human 5HT1A receptor	ChEMBL.	18160289
Intrinsic activity (binding)	= 60 %	Displacement of [3H]8OHDPAT from human 5HT1A receptor	ChEMBL.	18160289
Ki (binding)	= 0.33 nM	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells	ChEMBL.	18160289
Ki (binding)	= 0.33 nM	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells	ChEMBL.	18160289
Ki (binding)	= 1.1 nM	Displacement of [3H]8OHDPAT from human 5HT1A receptor	ChEMBL.	18160289
Ki (binding)	= 1.1 nM	Displacement of [3H]8OHDPAT from human 5HT1A receptor	ChEMBL.	18160289
Ki (binding)	= 3.18 nM	Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells	ChEMBL.	18160289
Ki (binding)	= 3.18 nM	Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells	ChEMBL.	18160289
Ki (binding)	= 15 nM	Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells	ChEMBL.	18160289
Ki (binding)	= 15 nM	Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells	ChEMBL.	18160289
Ki (binding)	= 2202 nM	Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells	ChEMBL.	18160289
Ki (binding)	= 2202 nM	Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells	ChEMBL.	18160289

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: CHEMBL252030
PubChem: 25032525

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 506203