TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 209.285 | Formula: C12H19NO2
H donors: 1 H acceptors: 0 LogP: 2.14 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@H](Cc1cc(OC)ccc1OC)N
InChi: 1S/C12H19NO2/c1-4-10(13)7-9-8-11(14-2)5-6-12(9)15-3/h5-6,8,10H,4,7,13H2,1-3H3/t10-/m1/s1
InChiKey: BGWUWDWDTLZQAZ-SNVBAGLBSA-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

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
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1298	0.1298
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1976	0.1976
Schistosoma mansoni	survival motor neuron protein	0.0048	0.1906	0.3163
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0089	0.3691	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1298	0.1298
Schistosoma mansoni	hypothetical protein	0.0016	0.0511	0.0848
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0143	0.6027	1
Onchocerca volvulus		0.0048	0.1906	1
Loa Loa (eye worm)	hypothetical protein	0.0235	1	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0641	0.0641
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0222	0.0222
Entamoeba histolytica	CAAX amino terminal protease family	0.0018	0.0629	0.1704
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.1502	0.4071
Schistosoma mansoni	cpg binding protein	0.0031	0.1162	0.1928
Echinococcus granulosus	cpg binding protein	0.0031	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0147	0.6216	0.6216
Brugia malayi	CAAX amino terminal protease family protein	0.0089	0.3691	0.3691
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0217	0.0217
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0118	0.0318
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0641	0.0641
Echinococcus granulosus	CAAX prenyl protease 2	0.0089	0.3691	0.3691
Brugia malayi	Bromodomain containing protein	0.0005	0.0056	0.0056
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1976	0.1976
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1976	0.1976
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0089	0.3691	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0511	0.0848
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0118	0.0318
Echinococcus multilocularis	muscleblind protein	0.0147	0.6216	0.6216
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.3728	0.3728
Brugia malayi	Muscleblind-like protein	0.0147	0.6216	0.6216
Schistosoma mansoni	zinc finger protein	0.0005	0.0056	0.0093
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0641	0.0641
Schistosoma mansoni	cpg binding protein	0.0031	0.1162	0.1928
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0118	0.0318
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.109	0.109
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0641	0.0641
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0222	0.0222
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.1654	0.5901
Entamoeba histolytica	CAAX amino terminal protease family	0.0018	0.0629	0.1704
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0145	0.0145
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.2499	0.4147
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.1654	0.5901
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.1502	0.2824
Echinococcus multilocularis	zinc finger protein	0.0005	0.0056	0.0056
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0145	0.0145
Giardia lamblia	Hypothetical protein	0.0089	0.3691	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0118	0.0318
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0056	0.0093
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.1502	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0118	0.0318
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0089	0.3691	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0641	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0056	0.0056
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.0004	0.0006	0.0017
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0118	0.0318
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0118	0.0318
Onchocerca volvulus		0.0029	0.109	0.5717
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.3728	0.6187
Chlamydia trachomatis	hypothetical protein	0.0018	0.0629	0.5
Echinococcus granulosus	GPCR family 2	0.0016	0.0511	0.0511
Brugia malayi	CXXC zinc finger family protein	0.0029	0.109	0.109
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.1654	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0511	0.0848
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0511	0.0511
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.3728	0.6187
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.3728	0.3728
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0118	0.0318
Schistosoma mansoni	ap endonuclease	0.0019	0.0641	0.1064
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0511	0.0511
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.1654	0.4482
Plasmodium vivax	protease, putative	0.0018	0.0629	0.3756
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0511	0.0511
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.2366	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0145	0.0241
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0641	1
Echinococcus granulosus	zinc finger protein	0.0005	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0056	0.0056
Brugia malayi	PHD-finger family protein	0.0005	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0147	0.6216	0.6216
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0641	0.1738
Echinococcus multilocularis	survival motor neuron protein 1	0.0235	1	1
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.0004	0.0006	0.0017
Loa Loa (eye worm)	acetyltransferase	0.0143	0.6027	0.6027
Echinococcus granulosus	muscleblind protein	0.0147	0.6216	0.6216
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0511	0.0511
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0005	0.0056	0.0056
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0641	0.1738
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0005	0.0056	0.0056
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0118	0.0318
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0222	0.0222
Entamoeba histolytica	CAAX prenyl protease family	0.0089	0.3691	1
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0511	0.0511
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0089	0.3691	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0511	0.0511
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0139	0.5853	0.5853
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.3728	0.3728
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0641	0.5
Echinococcus multilocularis	cpg binding protein	0.0031	0.1162	0.1162
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0641	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0013	0.0022
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0118	0.0318
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.3728	0.3728
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0118	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3691	0.3691
Toxoplasma gondii	exonuclease III APE	0.0019	0.0641	0.0072
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0118	0.0318
Echinococcus granulosus	survival motor neuron protein 1	0.0235	1	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.1654	0.1654
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0145	0.0145
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0511	0.0511
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0641	1
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0056	0.0093
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0118	0.0318
Schistosoma mansoni	hypothetical protein	0.0016	0.0511	0.0848
Schistosoma mansoni	ap endonuclease	0.0019	0.0641	0.1064
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.3728	0.3728
Schistosoma mansoni	hypothetical protein	0.0034	0.1298	0.2154
Schistosoma mansoni	cpg binding protein	0.0029	0.109	0.1809
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0145	0.0145
Trichomonas vaginalis	helicase, putative	0.0007	0.0118	0.0318
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0118	0.0318
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0641	0.3833
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0511	0.0511
Echinococcus multilocularis	CAAX prenyl protease 2	0.0089	0.3691	0.3691
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0118	0.0318
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.1654	0.4482
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0118	0.0318
Schistosoma mansoni	hypothetical protein	0.0048	0.1906	0.3163
Echinococcus multilocularis	muscleblind protein 1	0.0147	0.6216	0.6216
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0511	0.0511
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.1906	0.1906
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0089	0.3691	1
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0143	0.6027	0.6027
Brugia malayi	acetyltransferase, GNAT family protein	0.0143	0.6027	0.6027
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1976	0.1976
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0641	0.1738
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0089	0.3691	0.6124
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.3728	0.6187
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.3728	0.3728
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0118	0.0318
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0089	0.3691	0.6124

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: CHEMBL2110032

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 1685114