TDR Targets

Basic information

Technical information

TDR Targets ID: 981735
Name: 4-amino-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl )-1H-inden-5-yl]benzenesulfonamide
MW: 397.534 | Formula: C22H27N3O2S
H donors: 2 H acceptors: 2 LogP: 2.81 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)C(=C(C2)C)CCN1CCCC1
InChi: 1S/C22H27N3O2S/c1-16-14-17-4-7-19(24-28(26,27)20-8-5-18(23)6-9-20)15-22(17)21(16)10-13-25-11-2-3-12-25/h4-9,15,24H,2-3,10-14,23H2,1H3
InChiKey: YGZXMAHWZBUCFE-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-amino-N-[2-methyl-3-(2-1-pyrrolidinylethyl)-1H-inden-5-yl]benzenesulfonamide

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
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.005	0.212	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.005	0.212	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0041	0.1512	0.1471
Schistosoma mansoni	multidrug resistance protein	0.005	0.212	0.7279
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.005	0.212	1
Trichomonas vaginalis	abcb9, putative	0.005	0.212	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.005	0.212	1
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0041	0.1512	0.7067
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0049	0.2071	0.7113
Loa Loa (eye worm)	RNA binding protein	0.0062	0.2912	0.2912
Loa Loa (eye worm)	multidrug resistance protein 3	0.005	0.212	0.212
Toxoplasma gondii	hypothetical protein	0.0164	1	1
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0472	0.162
Giardia lamblia	MRP-like ABC transporter	0.0041	0.1512	1
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0021	0.0126	0.0273
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.005	0.212	0.7279
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0041	0.1512	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2912	1
Onchocerca volvulus		0.005	0.212	1
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.002	0.0048	0.0166
Echinococcus granulosus	intermediate filament protein	0.0026	0.0472	0.162
Trypanosoma brucei	multidrug resistance protein E	0.0041	0.1512	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0041	0.1512	0.7134
Entamoeba histolytica	P-glycoprotein 6, putative	0.002	0.0048	0.0228
Plasmodium vivax	multidrug resistance protein 1, putative	0.005	0.212	1
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0041	0.1512	0.7067
Echinococcus multilocularis	musashi	0.0026	0.0472	0.1478
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0472	0.0472
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.002	0.0048	0.5
Brugia malayi	ABC transporter transmembrane region family protein	0.0041	0.1512	0.5193
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.005	0.212	0.7279
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.002	0.0048	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.005	0.212	1
Schistosoma mansoni	smdr2	0.005	0.212	0.7279
Echinococcus granulosus	lamin	0.0026	0.0472	0.162
Schistosoma mansoni	multidrug resistance protein	0.0041	0.1512	0.5193
Trichomonas vaginalis	abcb9, putative	0.005	0.212	1
Entamoeba histolytica	P-glycoprotein-2	0.005	0.212	1
Brugia malayi	multidrug resistance related protein 1	0.0041	0.1512	0.5193
Leishmania major	ABC-thiol transporter	0.0041	0.1512	0.7067
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.005	0.212	1
Brugia malayi	intermediate filament protein	0.0026	0.0472	0.162
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.005	0.212	1
Schistosoma mansoni	smdr1	0.002	0.0048	0.0166
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.005	0.212	0.7233
Echinococcus multilocularis	multidrug resistance protein 1	0.005	0.212	0.7233
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.005	0.212	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2912	1
Trichomonas vaginalis	ABC transporter, putative	0.005	0.212	1
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0164	1	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.002	0.0048	0.5
Echinococcus multilocularis	ATP binding cassette sub family B	0.0049	0.2071	0.7064
Loa Loa (eye worm)	hypothetical protein	0.005	0.212	0.212
Schistosoma mansoni	lamin	0.0026	0.0472	0.162
Echinococcus granulosus	lamin dm0	0.0026	0.0472	0.162
Loa Loa (eye worm)	hypothetical protein	0.005	0.212	0.212
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0472	0.0472
Trichomonas vaginalis	ABC transporter, putative	0.005	0.212	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0655	0.0655
Brugia malayi	TAR-binding protein	0.0062	0.2912	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1512	0.1512
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.002	0.0048	0.0228
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.2912	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.002	0.0048	0.5
Brugia malayi	multidrug resistance protein 3	0.005	0.212	0.7279
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0041	0.1512	1
Brugia malayi	ABC transporter	0.002	0.0048	0.0166
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.005	0.212	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.005	0.212	1
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0022	0.0175	0.0175
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.005	0.212	0.7233
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0041	0.1512	0.7134
Echinococcus multilocularis	multidrug resistance protein 1	0.005	0.212	0.7233
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0041	0.1512	0.7067
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.005	0.212	1
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.005	0.212	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0041	0.1512	1
Echinococcus granulosus	multidrug resistance associated protein 4	0.0021	0.0126	0.0434
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2912	1
Echinococcus granulosus	multidrug resistance protein 1	0.0031	0.0782	0.2686
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.005	0.212	1
Entamoeba histolytica	P-glyco protein 6, putative	0.005	0.212	1
Trichomonas vaginalis	abcb9, putative	0.005	0.212	1
Schistosoma mansoni	multidrug resistance protein	0.005	0.212	0.7279
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2912	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.002	0.0048	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.005	0.212	0.7233
Loa Loa (eye worm)	hypothetical protein	0.0049	0.2071	0.2071
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.002	0.0048	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.005	0.212	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1464	0.1464
Loa Loa (eye worm)	hypothetical protein	0.002	0.0048	0.0048
Echinococcus granulosus	multidrug resistance associated protein 7	0.0041	0.1512	0.5193
Entamoeba histolytica	P-glycoprotein 5, putative	0.005	0.212	1
Loa Loa (eye worm)	ABC transporter	0.002	0.0048	0.0048
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0041	0.1512	0.5111
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.002	0.0048	0.5
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0041	0.1512	0.7134
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0439	0.0439
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0031	0.0782	0.369
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0655	0.2249
Echinococcus multilocularis	multidrug resistance protein 1	0.0031	0.0782	0.2563
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.005	0.212	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.005	0.212	0.7279
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.005	0.212	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.005	0.212	0.7279
Schistosoma mansoni	multidrug resistance protein	0.0041	0.1512	0.5193
Brugia malayi	ABC transporter family protein	0.002	0.0048	0.0166
Brugia malayi	ABC transporter transmembrane region family protein	0.002	0.0048	0.0166
Trichomonas vaginalis	taga, putative	0.005	0.212	1
Entamoeba histolytica	multidrug resistance protein, putative	0.0041	0.1512	0.7134
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1512	0.1512
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.005	0.212	1
Echinococcus granulosus	multidrug resistance protein 1	0.0031	0.0782	0.2686
Giardia lamblia	Multidrug resistance-associated protein 1	0.0041	0.1512	1
Leishmania major	p-glycoprotein e	0.0041	0.1512	0.7067
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.005	0.212	0.212
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.002	0.0048	0.5
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0041	0.1512	1
Echinococcus multilocularis	lamin dm0	0.0026	0.0472	0.1478
Schistosoma mansoni	multidrug resistance protein	0.0041	0.1512	0.5193
Entamoeba histolytica	ABC transporter, putative	0.0041	0.1512	0.7134
Loa Loa (eye worm)	hypothetical protein	0.0164	1	1
Entamoeba histolytica	P-glycoprotein-1	0.005	0.212	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.005	0.212	1
Trichomonas vaginalis	ABC transporter, putative	0.005	0.212	1
Entamoeba histolytica	P-glycoprotein 6, putative	0.002	0.0048	0.0228
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.005	0.212	1
Entamoeba histolytica	P-glycoprotein-5	0.005	0.212	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2912	1
Brugia malayi	hypothetical protein	0.002	0.0048	0.0166
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0041	0.1512	0.7067
Schistosoma mansoni	multidrug resistance protein	0.005	0.212	0.7279
Schistosoma mansoni	lamin	0.0026	0.0472	0.162
Echinococcus granulosus	tar DNA binding protein	0.0062	0.2912	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.005	0.212	0.7233
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.005	0.212	0.7233
Plasmodium falciparum	multidrug resistance protein 1	0.005	0.212	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.005	0.212	0.2081
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.2912	1
Echinococcus multilocularis	lamin	0.0026	0.0472	0.1478
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0041	0.1512	0.5111
Leishmania major	pentamidine resistance protein 1	0.0041	0.1512	0.7067
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0041	0.1512	1
Brugia malayi	ABC transporter family protein	0.002	0.0048	0.0166
Schistosoma mansoni	multidrug resistance protein	0.002	0.0048	0.0166
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0472	0.162
Entamoeba histolytica	P-glycoprotein-2, putative	0.005	0.212	1
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0041	0.1512	0.1512
Brugia malayi	RNA binding protein	0.0062	0.2912	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.005	0.212	1
Entamoeba histolytica	P-glycoprotein-2	0.005	0.212	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.2912	0.2912
Echinococcus granulosus	multidrug resistance protein 1	0.005	0.212	0.7279
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.005	0.212	1
Echinococcus granulosus	ATP binding cassette sub family B	0.002	0.0048	0.0166
Giardia lamblia	ABC transporter, putative	0.0041	0.1512	1
Brugia malayi	ABC transporter family protein	0.005	0.212	0.7279
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.005	0.212	0.2081
Trichomonas vaginalis	ABC transporter, putative	0.005	0.212	1
Leishmania major	p-glycoprotein	0.005	0.212	1
Echinococcus granulosus	multidrug resistance associated protein 1	0.0041	0.1512	0.5193
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.005	0.212	1
Entamoeba histolytica	hypothetical protein	0.0041	0.1512	0.7134
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0472	0.0472
Giardia lamblia	Multidrug resistance-associated protein 1	0.0041	0.1464	0.9681
Schistosoma mansoni	multidrug resistance protein	0.0041	0.1512	0.5193
Echinococcus granulosus	multidrug resistance protein 1	0.005	0.212	0.7279
Echinococcus granulosus	multidrug resistance protein 1	0.005	0.212	0.7279
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.2912	0.2912
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.002	0.0048	0.5
Brugia malayi	P-glycoprotein-like protein	0.002	0.0048	0.0166
Echinococcus granulosus	ATP binding cassette sub family B	0.002	0.0048	0.0166
Brugia malayi	ABC transporter family protein	0.002	0.0048	0.0166
Trypanosoma brucei	p-glycoprotein	0.0041	0.1512	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0041	0.1512	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.005	0.212	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.005	0.212	1
Loa Loa (eye worm)	hypothetical protein	0.0164	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0041	0.1512	0.7134
Loa Loa (eye worm)	ABC transporter	0.002	0.0048	0.0048
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.005	0.212	1
Trypanosoma cruzi	hypothetical protein	0.0021	0.0126	0.0534
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.002	0.0048	0.0166
Loa Loa (eye worm)	ABC transporter	0.002	0.0048	0.0048

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 63 %	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells at 100 uM by liquid scintillation counting	ChEMBL.	19159187

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: CHEMBL476211

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 981735