TDR Targets

Basic information

Technical information

TDR Targets ID: 288262
Name: (2-amino-4,5-dimethylthiophen-3-yl)-(4-methox ynaphthalen-1-yl)methanone
MW: 311.398 | Formula: C18H17NO2S
H donors: 1 H acceptors: 1 LogP: 5.13 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c2c1cccc2)C(=O)c1c(N)sc(c1C)C
InChi: 1S/C18H17NO2S/c1-10-11(2)22-18(19)16(10)17(20)14-8-9-15(21-3)13-7-5-4-6-12(13)14/h4-9H,19H2,1-3H3
InChiKey: BPHSAAHXKNNLPX-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-amino-4,5-dimethyl-3-thienyl)-(4-methoxy-1-naphthyl)methanone
(2-azanyl-4,5-dimethyl-thiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone
(2-amino-4,5-dimethyl-thiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanone

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)	hypothetical protein	0.0034	0.0588	0.1039
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.045	0.0162
Mycobacterium ulcerans	carboxylesterase, LipT	0.0034	0.0588	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0914	0.1057
Brugia malayi	Pre-SET motif family protein	0.0029	0.045	0.0795
Plasmodium vivax	SET domain protein, putative	0.0029	0.045	0.5
Brugia malayi	hypothetical protein	0.0036	0.0629	0.1112
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.045	0.0162
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.045	0.0162
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0034	0.0588	0.0428
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.045	0.0162
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.5657	1
Brugia malayi	Carboxylesterase family protein	0.0202	0.5555	0.982
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0202	0.5555	1
Onchocerca volvulus		0.0034	0.0588	0.0362
Echinococcus granulosus	carboxylesterase 5A	0.0202	0.5555	1
Brugia malayi	Carboxylesterase family protein	0.0034	0.0588	0.1039
Loa Loa (eye worm)	hypothetical protein	0.0202	0.5555	0.982
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0588	0.1039
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0588	0.0428
Echinococcus multilocularis	para nitrobenzyl esterase	0.0034	0.0588	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0588	0.1039
Echinococcus granulosus	acetylcholinesterase	0.0202	0.5555	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0629	0.0507
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0588	0.0428
Schistosoma mansoni	gliotactin	0.0034	0.0588	0.0428
Echinococcus granulosus	BC026374 protein S09 family	0.0034	0.0588	0.0428
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0034	0.0588	0.5
Brugia malayi	Carboxylesterase family protein	0.0202	0.5555	0.982
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0914	0.1057
Onchocerca volvulus		0.0029	0.045	0.0137
Echinococcus multilocularis	neuroligin	0.0034	0.0588	0.0428
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0588	0.0428
Onchocerca volvulus		0.0034	0.0588	0.0362
Onchocerca volvulus		0.0034	0.0588	0.0362
Brugia malayi	Pre-SET motif family protein	0.0205	0.5657	1
Onchocerca volvulus		0.0034	0.0588	0.0362
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.045	0.5
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0034	0.0588	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0914	0.1057
Loa Loa (eye worm)	carboxylesterase	0.0034	0.0588	0.1039
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.045	0.0162
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0366	0.0646
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0629	0.0507
Echinococcus multilocularis	acetylcholinesterase	0.0202	0.5555	1
Onchocerca volvulus		0.0034	0.0588	0.0362
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.045	0.0162
Brugia malayi	hypothetical protein	0.0034	0.0588	0.1039
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0034	0.0588	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0366	0.0646
Trichomonas vaginalis	set domain proteins, putative	0.0234	0.6496	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0034	0.0588	0.0428
Loa Loa (eye worm)	acetylcholinesterase 1	0.0202	0.5555	0.982
Giardia lamblia	DNA repair protein RAD52	0.0352	1	0.5
Brugia malayi	Carboxylesterase family protein	0.0034	0.0588	0.1039
Brugia malayi	Carboxylesterase family protein	0.0034	0.0588	0.1039
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0034	0.0588	0.5
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.01	0.2543	0.2043
Brugia malayi	intermediate filament protein	0.0027	0.0366	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0588	0.1039
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0588	0.1039
Echinococcus multilocularis	acetylcholinesterase	0.0202	0.5555	1
Echinococcus granulosus	acetylcholinesterase	0.0202	0.5555	1
Schistosoma mansoni	acetylcholinesterase	0.0034	0.0588	0.0428
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0366	0.0646
Loa Loa (eye worm)	carboxylesterase	0.0034	0.0588	0.1039
Loa Loa (eye worm)	carboxylesterase	0.0202	0.5555	0.982
Schistosoma mansoni	hypothetical protein	0.0036	0.0629	0.0507
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0914	0.1057
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0914	0.1616
Echinococcus multilocularis	carboxylesterase 5A	0.0202	0.5555	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0034	0.0588	0.0428
Entamoeba histolytica	hypothetical protein	0.01	0.2543	0.2043
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0034	0.0588	0.0428
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.045	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0029	0.045	0.0795
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0914	0.1616
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0914	0.1057
Schistosoma mansoni	BC026374 protein (S09 family)	0.0034	0.0588	0.0428
Onchocerca volvulus		0.0234	0.6496	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0588	0.1039
Echinococcus granulosus	neuroligin	0.0034	0.0588	0.0428
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0914	0.1057
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0351	0.0621
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0629	0.0507
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0418	0.0101
Brugia malayi	Carboxylesterase family protein	0.0034	0.0588	0.1039
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0914	0.1057
Loa Loa (eye worm)	hypothetical protein	0.0202	0.5555	0.982
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0588	0.1039
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0366	0.0646

Activities

Activity type	Activity value	Assay description	Source	Reference
Change (functional)	= -38 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 10 uM	ChEMBL.	12593659
Change (functional)	= -38 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 10 uM	ChEMBL.	12593659
Change (functional)	= -5 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 1 uM	ChEMBL.	12593659
Change (functional)	= -5 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 1 uM	ChEMBL.	12593659
Change (functional)	= 3 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 0.1 uM	ChEMBL.	12593659
Change (functional)	= 3 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 0.1 uM	ChEMBL.	12593659
Change (functional)	= 9 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 0.01 uM	ChEMBL.	12593659
Change (functional)	= 9 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 0.01 uM	ChEMBL.	12593659

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: CHEMBL168747
PubChem: 10957909

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 288262