TDR Targets

Basic information

Technical information

TDR Targets ID: 664855
Name: ChemDiv3_013947
MW: 440.285 | Formula: C19H22BrNO6
H donors: 1 H acceptors: 3 LogP: 2.98 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1=CN(C)C=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)OCC
InChi: 1S/C19H22BrNO6/c1-5-26-18(23)12-9-21(3)10-13(19(24)27-6-2)16(12)11-7-14(20)17(22)15(8-11)25-4/h7-10,16,22H,5-6H2,1-4H3
InChiKey: DJSKIKZNDRQNLD-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

IVK/2006721

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
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.1314	0.0687
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0806	0.0888
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0772	0.2013
Echinococcus multilocularis	zinc finger protein	0.002	0.0314	0.0762
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0042	0.128	0.4467
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.2547	0.2893
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0052	0.1712	1
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.1712	0.1114
Echinococcus granulosus	mitogen activated protein kinase 3	0.0052	0.1712	0.4581
Schistosoma mansoni	chromobox protein	0.007	0.2547	0.9011
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0052	0.1712	1
Brugia malayi	Heterochromatin protein 1	0.007	0.2547	0.2921
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0201	0.0598
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0741	0.1928
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1342	0.1506
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.2102	0.5645
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0741	0.1928
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.2823	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0052	0.1712	1
Brugia malayi	jmjC domain containing protein	0.0038	0.1099	0.1261
Brugia malayi	Pre-SET motif family protein	0.021	0.8718	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.1182	0.0477
Echinococcus granulosus	mitogen activated protein kinase	0.0052	0.1712	0.4581
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0201	0.0455
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0741	0.2533
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.1712	0.1114
Brugia malayi	chromobox protein homolog 3	0.0039	0.1182	0.1356
Schistosoma mansoni	hypothetical protein	0.0021	0.0361	0.117
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0201	0.0455
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.2124	0.2407
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.1712	0.1114
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0229	0.0223
Trichomonas vaginalis	set domain proteins, putative	0.024	1	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0446	0.1476
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.3697	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.021	0.8718	1
Brugia malayi	PHD-finger family protein	0.0029	0.0741	0.085
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.1314	0.0619
Brugia malayi	PHD-finger family protein	0.0025	0.0552	0.0633
Brugia malayi	CHD4 protein	0.0013	0.0035	0.004
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1182	0.1321
Schistosoma mansoni	hypothetical protein	0.0029	0.0741	0.2533
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0052	0.1712	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0741	0.0813
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0052	0.1712	1
Schistosoma mansoni	chromobox protein	0.007	0.2547	0.9011
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2594	0.2947
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0741	0.0813
Schistosoma mansoni	hypothetical protein	0.0015	0.0123	0.0317
Schistosoma mansoni	bromodomain containing protein	0.0064	0.2262	0.7989
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0741	0.5
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0052	0.1712	0.4581
Trypanosoma brucei	protein kinase, putative	0.0052	0.1712	1
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.125	0.3317
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0201	0.0598
Giardia lamblia	Kinase, CMGC MAPK	0.0052	0.1712	1
Brugia malayi	Bromodomain containing protein	0.0039	0.1148	0.1317
Brugia malayi	Pre-SET motif family protein	0.003	0.0772	0.0885
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0723	0.1879
Brugia malayi	jmjC domain containing protein	0.0097	0.3697	0.4241
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0772	0.2644
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0052	0.1712	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0047	0.1532	0.4088
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1152	0.1286
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.1314	0.0687
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.1532	0.5371
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0361	0.0376
Echinococcus multilocularis	chromobox protein 1	0.007	0.2547	0.6859
Schistosoma mansoni	serine/threonine protein kinase	0.0052	0.1712	0.6018
Plasmodium vivax	SET domain protein, putative	0.003	0.0772	1
Onchocerca volvulus		0.0042	0.128	0.0583
Schistosoma mansoni	zinc finger protein	0.002	0.0314	0.1001
Onchocerca volvulus		0.0031	0.0806	0.007
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0052	0.1712	1
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.1182	0.0545
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0047	0.1532	0.4088
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0446	0.1123
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.1712	0.1114
Echinococcus multilocularis	chromobox protein 1	0.007	0.2547	0.6859
Brugia malayi	Bromodomain containing protein	0.0076	0.2784	0.3194
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.1014	0.2674
Echinococcus multilocularis	peregrin	0.0032	0.0846	0.2216
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.125	0.3317
Echinococcus granulosus	peregrin	0.0032	0.0846	0.2216
Echinococcus granulosus	chromobox protein 1	0.007	0.2547	0.6859
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.3697	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.2102	0.5645
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0772	0.032
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.1043	0.2753
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0052	0.1712	0.1932
Schistosoma mansoni	zinc finger protein	0.0015	0.0123	0.0317
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.1043	0.2753
Brugia malayi	Bromodomain containing protein	0.0032	0.0846	0.0971
Echinococcus multilocularis	mitogen activated protein kinase	0.0052	0.1712	0.4581
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1257	0.1408
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.1182	0.0545
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.1099	0.1226
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.1532	0.5371
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0446	0.1123
Brugia malayi	MAP kinase sur-1	0.0052	0.1712	0.1964
Trichomonas vaginalis	chromobox protein, putative	0.007	0.2547	0.2008
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.1099	0.3819
Echinococcus granulosus	zinc finger protein	0.002	0.0314	0.0762
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0052	0.1712	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1669	0.1882
Echinococcus granulosus	chromobox protein 1	0.007	0.2547	0.6859
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.1099	0.2907
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.1099	0.3819
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1532	0.1724
Trichomonas vaginalis	chromobox protein, putative	0.007	0.2547	0.2008

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 664855