TDR Targets

Basic information

Technical information

TDR Targets ID: 1632160
Name: 2,5,11-trimethyl-[1]benzothiolo[2,3-g]isoquin olin-2-ium
MW: 278.391 | Formula: C18H16NS+
H donors: 0 H acceptors: 0 LogP: 5 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: C[n+]1ccc2c(c1)c(C)c1c(c2C)sc2c1cccc2
InChi: 1S/C18H16NS/c1-11-15-10-19(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)20-18/h4-10H,1-3H3/q+1
InChiKey: LEUHODMFCTWTRH-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

2,5,11-trimethylbenzothiopheno[2,3-g]isoquinolin-2-ium
Neuro_000288
NCI60_012675

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
Schistosoma mansoni	hypothetical protein	0.0005	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Brugia malayi	leucyl aminopeptidase	0.0057	0.1489	0.1462
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.0957	0.0928
Schistosoma mansoni	hypothetical protein	0.0016	0.0344	0.0344
Schistosoma mansoni	amine GPCR	0.0005	0.0031	0.0031
Schistosoma mansoni	cpg binding protein	0.0032	0.0774	0.0774
Schistosoma mansoni	neuropeptide F-like receptor	0.0005	0.0031	0.0031
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0005	0.0031	0.0031
Echinococcus granulosus	peroxidasin	0.0038	0.0957	0.0928
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0344	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1489	0.1462
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1489	0.1462
Echinococcus granulosus	GPCR family 2	0.0016	0.0344	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.0957	0.0928
Schistosoma mansoni	peroxidasin	0.0038	0.0957	0.0957
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0057	0.1489	0.5
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0031	0.0031
Schistosoma mansoni	hypothetical protein	0.0016	0.0344	0.0344
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0031	0.0031
Loa Loa (eye worm)	blistered cuticle protein 3	0.0038	0.0957	0.0928
Schistosoma mansoni	peroxidasin	0.0038	0.0957	0.0957
Schistosoma mansoni	hypothetical protein	0.0005	0.0031	0.0031
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0344	0.0314
Schistosoma mansoni	opsin-like receptor	0.0005	0.0031	0.0031
Leishmania major	glutaminyl cyclase, putative	0.0057	0.1489	0.5
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0005	0.0031	0.0031
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0057	0.1489	0.1462
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0141	0.011
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0031	0.0031
Trypanosoma brucei	glutaminyl cyclase, putative	0.0057	0.1489	0.5
Echinococcus granulosus	cpg binding protein	0.0032	0.0774	0.0745
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0344	0.0314
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0031	0.0031
Schistosoma mansoni	amine GPCR	0.0005	0.0031	0.0031
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0031	0.0031
Schistosoma mansoni	hypothetical protein	0.0016	0.0344	0.0344
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Mycobacterium tuberculosis	Probable lipoprotein aminopeptidase LpqL	0.0057	0.1489	0.5
Onchocerca volvulus		0.003	0.0726	0.0697
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.0057	0.1489	0.1462
Schistosoma mansoni	hypothetical protein	0.0016	0.0344	0.0344
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0031	0.0031
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0344	0.0314
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0057	0.1489	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.0957	0.0928
Schistosoma mansoni	cpg binding protein	0.0032	0.0774	0.0774
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.0057	0.1489	0.1489
Schistosoma mansoni	hypothetical protein	0.0036	0.0884	0.0884
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0141	0.011
Brugia malayi	Blistered cuticle protein 3	0.0038	0.0957	0.0928
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0031	0.0031
Onchocerca volvulus	Fxna peptidase homolog	0.0057	0.1489	0.1462
Brugia malayi	CXXC zinc finger family protein	0.003	0.0726	0.0697
Schistosoma mansoni	amine GPCR	0.0005	0.0031	0.0031
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0057	0.1489	0.1462
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0344	0.0314
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0057	0.1489	0.1462
Schistosoma mansoni	opsin-like receptor	0.0005	0.0031	0.0031
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0089	0.0058
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0031	0.0031
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0137	0.0106
Onchocerca volvulus	Peroxidasin homolog	0.0038	0.0957	0.0928
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.0957	0.0928
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0005	0.0031	0.0031
Onchocerca volvulus	Fxna peptidase homolog	0.0057	0.1489	0.1462
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.0957	0.0928
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0031	0.0031
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0005	0.0031	0.0031
Schistosoma mansoni	amine GPCR	0.0005	0.0031	0.0031
Toxoplasma gondii	hypothetical protein	0.0057	0.1489	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0344	0.0314
Schistosoma mansoni	opsin-like receptor	0.0005	0.0031	0.0031
Schistosoma mansoni	adenoreceptor	0.0005	0.0031	0.0031
Onchocerca volvulus		0.0038	0.0957	0.0928
Brugia malayi	Peroxidasin	0.0038	0.0957	0.0928
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0.1489	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0005	0.0031	0.0031
Echinococcus multilocularis	cpg binding protein	0.0032	0.0774	0.0745
Schistosoma mansoni	nicalin (M28 family)	0.0057	0.1489	0.1489
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0005	0.0031	0.0031
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0031	0.0031
Onchocerca volvulus		0.0057	0.1489	0.1462
Mycobacterium ulcerans	lipoprotein aminopeptidase LpqL	0.0057	0.1489	0.5
Schistosoma mansoni	cpg binding protein	0.003	0.0726	0.0726
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0005	0.0031	0.0031
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0031	0.0031
Onchocerca volvulus	Peroxidase homolog	0.0038	0.0957	0.0928
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0057	0.1489	0.1462
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0031	0.0031
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0089	0.0058
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0089	0.0089
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0005	0.0031	0.0031
Onchocerca volvulus	Glutaminyl cyclase homolog	0.0358	1	1
Loa Loa (eye worm)	leucyl aminopeptidase	0.0057	0.1489	0.1462
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	0.0358	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0005	0.0031	0.0031
Schistosoma mansoni	hypothetical protein	0.0005	0.0031	0.0031
Schistosoma mansoni	glutaminyl-peptide cyclotransferase-related	0.0057	0.1489	0.1489
Schistosoma mansoni	neuropeptide F-like receptor	0.0005	0.0031	0.0031
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0089	0.0058
Mycobacterium ulcerans	hypothetical protein	0.0057	0.1489	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0344	0.0314
Onchocerca volvulus		0.0038	0.0957	0.0928
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0344	0.0314
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0.1489	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.1349	0.1322
Echinococcus granulosus	glutaminyl peptide cyclotransferase	0.0358	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0884	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0884	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1489	0.1462
Leishmania major	hypothetical protein, conserved	0.0057	0.1489	0.5
Loa Loa (eye worm)	hypothetical protein	0.0358	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.1349	0.1322
Schistosoma mansoni	myosin xvIII	0.0005	0.0031	0.0031
Onchocerca volvulus	Peroxidase homolog	0.0038	0.0957	0.0928
Brugia malayi	hypothetical protein	0.0038	0.0957	0.0928
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0005	0.0031	0.0031
Brugia malayi	nicalin	0.0057	0.1489	0.1462
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0141	0.011
Onchocerca volvulus	Fxna peptidase homolog	0.0057	0.1489	0.1462
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.0957	0.0928
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0089	0.0058
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0726	0.0697
Onchocerca volvulus	Peroxidasin homolog	0.0038	0.0957	0.0928
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1349	0.1322
Schistosoma mansoni	growth hormone secretagogue receptor	0.0005	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Echinococcus multilocularis	peroxidasin	0.0038	0.0957	0.0928
Schistosoma mansoni	neuropeptide f receptor 76f	0.0005	0.0031	0.0031
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0031	0.0031
Brugia malayi	FXNA	0.0057	0.1489	0.1462
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0344	0.0314
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0005	0.0031	0.0031
Schistosoma mansoni	amine GPCR	0.0005	0.0031	0.0031
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0031	0.0031
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0031	0.0031
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0031	0.0031
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.1676	0.1676
Onchocerca volvulus	Chorion peroxidase homolog	0.0038	0.0957	0.0928
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0005	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0957	0.0928
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.0957	0.0928
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.0957	0.0928
Schistosoma mansoni	Fxna peptidase (M28 family)	0.0057	0.1489	0.1489
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0.1489	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0005	0.0031	0.0031
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.1349	0.1322
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0031	0.0031
Onchocerca volvulus	Dual oxidase homolog	0.0038	0.0957	0.0928
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.0957	0.0928
Toxoplasma gondii	peptidase, M28 family protein	0.0057	0.1489	1
Mycobacterium tuberculosis	Conserved protein	0.0057	0.1489	0.5
Trichomonas vaginalis	Clan MH, family M28, aminopeptidase S-like metallopeptidase	0.0057	0.1489	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1489	0.1462
Schistosoma mansoni	histamine h1 receptor	0.0005	0.0031	0.0031
Onchocerca volvulus		0.0038	0.0957	0.0928
Schistosoma mansoni	glutaminyl cyclase (M28 family)	0.0358	1	1
Schistosoma mansoni	hypothetical protein	0.0005	0.0031	0.0031

Activities

No activities found for this compound.

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: CHEMBL2010180

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1632160