TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.36 | Formula: C19H19NO2
H donors: 0 H acceptors: 1 LogP: 3.39 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=c1cc(CN2CCCCC2)c2c(o1)ccc1c2cccc1
InChi: 1S/C19H19NO2/c21-18-12-15(13-20-10-4-1-5-11-20)19-16-7-3-2-6-14(16)8-9-17(19)22-18/h2-3,6-9,12H,1,4-5,10-11,13H2
InChiKey: ICNCHTBKXPAWRE-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0095	0.0368
Trichomonas vaginalis	starch branching enzyme II, putative	0.0062	0.0541	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0095	0.0368
Schistosoma mansoni	hypothetical protein	0.0019	0.0095	0.0368
Trichomonas vaginalis	amylase, putative	0.0062	0.0541	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0095	0.0368
Mycobacterium tuberculosis	Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas	0.0261	0.2587	1
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0047	0.0387	0.0387
Brugia malayi	MH2 domain containing protein	0.0144	0.1386	0.5356
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.052	0.2008
Echinococcus granulosus	intermediate filament protein	0.0021	0.0116	0.0447
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0095	0.0368
Echinococcus granulosus	alpha glucosidase	0.0261	0.2587	1
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Echinococcus multilocularis	lamin dm0	0.0021	0.0116	0.0116
Brugia malayi	Alpha amylase, catalytic domain containing protein	0.0261	0.2587	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1386	0.5356
Echinococcus multilocularis	trehalose 6 phosphate hydrolase	0.0062	0.0541	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1005	0.3883
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0323	0.1249
Chlamydia trachomatis	glycogen hydrolase	0.0062	0.0541	0.5
Echinococcus granulosus	dual specificity	0.0108	0.101	0.3905
Entamoeba histolytica	protein kinase, putative	0.0108	0.101	0.2293
Schistosoma mansoni	hypothetical protein	0.0019	0.0095	0.0368
Trichomonas vaginalis	amylase, putative	0.0062	0.0541	0.5
Schistosoma mansoni	intermediate filament proteins	0.0021	0.0116	0.0447
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Giardia lamblia	1,4-alpha-glucan branching enzyme	0.0062	0.0541	0.5
Echinococcus granulosus	glucan 14 alpha branching enzyme 1	0.0062	0.0541	0.2092
Mycobacterium ulcerans	trehalose synthase TreS	0.0261	0.2587	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.001	0.0003	0.0003
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0095	0.0368
Chlamydia trachomatis	1,4-alpha-glucan branching enzyme	0.0062	0.0541	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0112	0.0432
Mycobacterium ulcerans	trehalose synthase TreS	0.0062	0.0541	0.07
Schistosoma mansoni	alpha-amylase	0.0261	0.2587	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1386	0.5356
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0116	0.0447
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0095	0.0095
Mycobacterium tuberculosis	Trehalose synthase TreS	0.0261	0.2587	1
Schistosoma mansoni	lamin	0.0021	0.0116	0.0447
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0108	0.101	1
Trichomonas vaginalis	amylase, putative	0.0062	0.0541	0.5
Mycobacterium ulcerans	maltooligosyltrehalose synthase TreY	0.0062	0.0541	0.07
Toxoplasma gondii	Alpha-amylase AMY3, putative	0.0062	0.0541	1
Loa Loa (eye worm)	alpha amylase	0.0261	0.2587	1
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0323	0.1249
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0095	0.0368
Schistosoma mansoni	starch branching enzyme II	0.0062	0.0541	0.2092
Echinococcus granulosus	lamin	0.0021	0.0116	0.0447
Schistosoma mansoni	aldehyde dehydrogenase	0.0047	0.0387	0.1497
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0011	0.0015	0.0058
Schistosoma mansoni	alpha-amylase	0.0261	0.2587	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.001	0.0003	0.0013
Brugia malayi	Intermediate filament tail domain containing protein	0.0021	0.0116	0.0447
Schistosoma mansoni	serine/threonine protein kinase	0.0108	0.101	0.3905
Echinococcus granulosus	geminin	0.0205	0.201	0.7766
Brugia malayi	cytoplasmic intermediate filament protein	0.0011	0.0015	0.0058
Toxoplasma gondii	alpha amylase, catalytic domain-containing protein	0.0062	0.0541	1
Mycobacterium ulcerans	glycogen branching protein	0.0062	0.0541	0.07
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0047	0.0387	0.1497
Echinococcus granulosus	trehalose 6 phosphate hydrolase	0.0062	0.0541	0.2092
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.0541	0.5
Mycobacterium leprae	Putative uncharacterized protein ML2045	0.0261	0.2587	0.5
Echinococcus multilocularis	lamin	0.0021	0.0116	0.0116
Echinococcus granulosus	lamin dm0	0.0021	0.0116	0.0447
Mycobacterium tuberculosis	Probable glucanase GlgE	0.0062	0.0541	0.07
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0095	0.0368
Mycobacterium ulcerans	maltooligosyltrehalose trehalohydrolase, TreZ	0.0062	0.0541	0.07
Schistosoma mansoni	alpha-amylase	0.0261	0.2587	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0108	0.101	0.5
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Schistosoma mansoni	hypothetical protein	0.0205	0.201	0.7766
Echinococcus multilocularis	dual specificity	0.0108	0.101	0.101
Mycobacterium tuberculosis	Maltooligosyltrehalose synthase TreY	0.0062	0.0541	0.07
Schistosoma mansoni	lamin	0.0021	0.0116	0.0447
Loa Loa (eye worm)	alpha amylase	0.0261	0.2587	1
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Toxoplasma gondii	glycosyltransferase	0.0062	0.0541	1
Echinococcus granulosus	GPCR family 2	0.0019	0.0095	0.0368
Schistosoma mansoni	hypothetical protein	0.0062	0.0541	0.2092
Entamoeba histolytica	oligo-1,6-glucosidase, putative	0.0261	0.2587	1
Echinococcus multilocularis	musashi	0.0021	0.0116	0.0116
Mycobacterium tuberculosis	1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme)	0.0062	0.0541	0.07
Echinococcus multilocularis	alpha glucosidase	0.0261	0.2587	0.2587
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Toxoplasma gondii	1,4-alpha-glucan-branching enzyme	0.0062	0.0541	1
Brugia malayi	1,4-alpha-glucan branching enzyme	0.0062	0.0541	0.2092
Brugia malayi	Protein kinase domain containing protein	0.0108	0.101	0.3905
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1005	0.3883
Mycobacterium ulcerans	glycosidase	0.0062	0.0541	0.07
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0021	0.0116	0.0447
Loa Loa (eye worm)	intermediate filament protein	0.0021	0.0116	0.0447
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Mycobacterium ulcerans	maltooligosyltrehalose synthase TreX	0.0062	0.0541	0.07
Schistosoma mansoni	aldehyde dehydrogenase	0.0047	0.0387	0.1497
Entamoeba histolytica	hypothetical protein	0.0108	0.101	0.2293
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0095	0.0095
Onchocerca volvulus		0.0021	0.0116	0.5
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Schistosoma mansoni	alpha-amylase	0.0261	0.2587	1
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0108	0.101	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.052	0.2008
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0108	0.101	0.5
Schistosoma mansoni	hypothetical protein	0.0041	0.0323	0.1249
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0108	0.101	0.3905
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0541	0.2092
Schistosoma mansoni	alpha-amylase	0.0261	0.2587	1
Brugia malayi	Alpha amylase, catalytic domain containing protein	0.0261	0.2587	1
Schistosoma mansoni	hypothetical protein	0.0205	0.201	0.7766
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Brugia malayi	intermediate filament protein	0.0021	0.0116	0.0447
Onchocerca volvulus		0.0021	0.0116	0.5
Trichomonas vaginalis	amylase, putative	0.0062	0.0541	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0095	0.0368
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.052	0.2008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0013
Mycobacterium tuberculosis	Maltooligosyltrehalose trehalohydrolase TreZ	0.0062	0.0541	0.07
Echinococcus multilocularis	glucan (1,4 alpha), branching enzyme 1	0.0062	0.0541	0.0541
Loa Loa (eye worm)	hypothetical protein	0.006	0.052	0.2008
Echinococcus multilocularis	geminin	0.0205	0.201	0.201
Entamoeba histolytica	protein kinase domain containing protein	0.0108	0.101	0.2293
Trichomonas vaginalis	alpha-amylase, putative	0.0062	0.0541	0.5
Entamoeba histolytica	protein kinase, putative	0.0108	0.101	0.2293

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.3096 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference

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: CHEMBL1887798

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 1535548