TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 490.397 | Formula: C21H28BrN7O2
H donors: 2 H acceptors: 4 LogP: 4.83 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(Br)cc(c1O)C=NNc1nc(nc(n1)N1CCCCC1)N1CCCCC1
InChi: 1S/C21H28BrN7O2/c1-31-17-13-16(22)12-15(18(17)30)14-23-27-19-24-20(28-8-4-2-5-9-28)26-21(25-19)29-10-6-3-7-11-29/h12-14,30H,2-11H2,1H3,(H,24,25,26,27)/b23-14+
InChiKey: VHMXPXRSTUKONW-OEAKJJBVSA-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
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0123	0.0107
Trypanosoma cruzi	transcription elongation factor s-II, putative	0.0039	0.0123	0.1289
Loa Loa (eye worm)	hypothetical protein	0.0906	0.6479	0.7075
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0109	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0051	0.0028
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0123	0.1289
Schistosoma mansoni	hypothetical protein	0.0048	0.019	0.0331
Onchocerca volvulus		0.0118	0.0698	0.065
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0128	0.0776	0.1518
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0128	0.0776	0.7013
Echinococcus granulosus	histone h3 methyltransferase	0.013	0.079	0.1546
Brugia malayi	SET domain containing protein	0.012	0.0719	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0632	0.0665
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0188	0.1216	0.2409
Schistosoma mansoni	protein arginine n-methyltransferase	0.0147	0.0911	0.1791
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0031	0.0063	0.0074
Echinococcus multilocularis	histone arginine methyltransferase CARMER	0.0147	0.0911	0.1791
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0123	0.1289
Brugia malayi	SET domain containing protein	0.02	0.1304	0.1426
Echinococcus multilocularis	histone h3 methyltransferase	0.013	0.079	0.1546
Brugia malayi	jmjC domain containing protein	0.0037	0.0109	0.0119
Trichomonas vaginalis	set domain proteins, putative	0.1386	1	1
Toxoplasma gondii	C-5 cytosine-specific DNA methylase superfamily protein	0.0162	0.1022	0.9388
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0655	0.069
Onchocerca volvulus		0.0039	0.0123	0.0072
Leishmania major	modification methylase-like protein	0.0162	0.1022	1
Echinococcus multilocularis	histone lysine N methyltransferase E(z)	0.02	0.1304	0.2587
Echinococcus granulosus	histone lysine methyltransferase setb	0.0188	0.1216	0.2409
Schistosoma mansoni	hypothetical protein	0.0052	0.022	0.0393
Schistosoma mansoni	hypothetical protein	0.0171	0.1088	0.2149
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0031	0.0063	0.0014
Plasmodium falciparum	S-adenosylmethionine decarboxylase/ornithine decarboxylase	0.0052	0.0221	0.1639
Onchocerca volvulus		0.0097	0.0544	0.0495
Echinococcus multilocularis	DNA methyltransferase 2, putative	0.0162	0.1022	0.2016
Onchocerca volvulus		0.0078	0.0405	0.0355
Trypanosoma brucei	S-adenosylmethionine decarboxylase	0.0108	0.0626	0.5933
Brugia malayi	PHD-finger family protein	0.0029	0.0051	0.0056
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0051	0.0028
Trypanosoma brucei	S-adenosylmethionine decarboxylase proenzyme, putative	0.0108	0.0626	0.5933
Brugia malayi	S-adenosylmethionine decarboxylase proenzyme	0.0108	0.0626	0.0685
Schistosoma mansoni	survival motor neuron protein	0.0048	0.019	0.0331
Echinococcus granulosus	lysine specific demethylase 5A	0.0037	0.0109	0.0167
Loa Loa (eye worm)	PWWP domain-containing protein	0.0039	0.0123	0.0107
Echinococcus multilocularis	peregrin	0.0069	0.0339	0.0633
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.019	0.0207
Plasmodium vivax	DNA (cytosine-5)-methyltransferase, putative	0.0162	0.1022	1
Echinococcus granulosus	microtubule associated protein 2	0.07	0.4966	1
Brugia malayi	Pre-SET motif family protein	0.127	0.9146	1
Echinococcus granulosus	protein arginine methyltransferase	0.0031	0.0063	0.0074
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.0906	0.6479	0.7075
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0128	0.0776	0.1518
Plasmodium vivax	S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative	0.0052	0.0221	0.1747
Echinococcus multilocularis	PWWP domain containing protein 2A	0.0039	0.0123	0.0197
Brugia malayi	hypothetical protein	0.0039	0.0123	0.0135
Echinococcus granulosus	histone lysine N methyltransferase H3 lysine 36	0.0051	0.021	0.0371
Echinococcus multilocularis	microtubule associated protein 2	0.07	0.4966	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0344	0.0349
Echinococcus multilocularis	survival motor neuron protein 1	0.0237	0.157	0.3126
Echinococcus multilocularis	protein arginine N methyltransferase 8	0.0031	0.0063	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0906	0.6479	0.7075
Echinococcus granulosus	DNA methyltransferase 2, putative	0.0162	0.1022	0.2016
Brugia malayi	Carm1-pending protein	0.0147	0.0911	0.0996
Brugia malayi	jmjC domain containing protein	0.0096	0.0541	0.0592
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0051	0.0051
Echinococcus multilocularis	SET and MYND domain containing protein 3	0.0071	0.0358	0.0672
Plasmodium vivax	SET domain protein, putative	0.0128	0.0776	0.7464
Loa Loa (eye worm)	hypothetical protein	0.013	0.079	0.0837
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0109	0.0167
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.017	0.1086	1
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0031	0.0063	0.0074
Schistosoma mansoni	cpg binding protein	0.0097	0.0544	0.1049
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.127	0.9146	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.0541	0.1043
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0188	0.1216	0.2409
Entamoeba histolytica	DNA (cytosine-5)-methyltransferase, putative	0.0162	0.1022	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0151	0.094	0.185
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.0109	0.0091
Plasmodium vivax	histone-lysine N-methyltransferase, putative	0.0083	0.0444	0.4048
Schistosoma mansoni	enhancer of zeste ezh	0.02	0.1304	0.2587
Echinococcus granulosus	cpg binding protein	0.0098	0.0556	0.1074
Echinococcus granulosus	histone arginine methyltransferase CARMER	0.0147	0.0911	0.1791
Trypanosoma cruzi	MIZ/SP-RING zinc finger, putative	0.0039	0.0123	0.1289
Schistosoma mansoni	hepatoma derived growth factor	0.0039	0.0123	0.0197
Echinococcus granulosus	geminin	0.0171	0.1088	0.2149
Schistosoma mansoni	microtubule-associated protein tau	0.07	0.4966	1
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0031	0.0063	0.0074
Echinococcus granulosus	histone lysine N methyltransferase Ez	0.02	0.1304	0.2587
Echinococcus multilocularis	histone lysine n methyltransferase suv420h1	0.0136	0.0833	0.1633
Echinococcus granulosus	histone lysine n methyltransferase setb1	0.0034	0.0086	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0086	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1216	0.1305
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0051	0.0051
Echinococcus granulosus	disco interacting protein 2	0.0078	0.0405	0.0767
Giardia lamblia	PHD finger protein 15	0.0029	0.0051	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0028	0.0038	0.0025
Brugia malayi	Bromodomain containing protein	0.0028	0.0038	0.0042
Plasmodium vivax	protein arginine N-methyltransferase 1, putative	0.0031	0.0063	0.0117
Echinococcus multilocularis	histone lysine N methyltransferase, H3 lysine 36	0.0051	0.021	0.0371
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0136	0.0222
Schistosoma mansoni	hypothetical protein	0.0029	0.0049	0.0046
Trypanosoma brucei	Protein arginine N-methyltransferase 1 catalytic subunit	0.006	0.0276	0.233
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0097	0.0544	0.0568
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0051	0.0051
Brugia malayi	hypothetical protein	0.0039	0.0123	0.0135
Echinococcus granulosus	survival motor neuron protein 1	0.0237	0.157	0.3126
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0031	0.0063	0.0014
Leishmania major	arginine N-methyltransferase-like protein	0.0031	0.0063	0.0143
Echinococcus multilocularis	disco interacting protein 2	0.0078	0.0405	0.0767
Plasmodium falciparum	DNA (cytosine-5)-methyltransferase	0.0162	0.1022	0.9386
Schistosoma mansoni	SET domain protein	0.0053	0.0222	0.0396
Schistosoma mansoni	hypothetical protein	0.0029	0.0051	0.0051
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0028	0.0041	0.003
Loa Loa (eye worm)	hypothetical protein	0.0237	0.157	0.1693
Brugia malayi	PWWP domain containing protein	0.0039	0.0123	0.0135
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0322	0.2635
Toxoplasma gondii	hypothetical protein	0.0039	0.0123	0.0718
Loa Loa (eye worm)	hypothetical protein	0.005	0.0205	0.0196
Echinococcus granulosus	hepatoma derived growth factor protein	0.0039	0.0123	0.0197
Onchocerca volvulus		0.0048	0.019	0.0139
Schistosoma mansoni	DNA (cytosine-5)-methyltransferase	0.0162	0.1022	0.2016
Loa Loa (eye worm)	hypothetical protein	0.006	0.0276	0.0274
Onchocerca volvulus		0.0039	0.0123	0.0072
Brugia malayi	CXXC zinc finger family protein	0.0097	0.0544	0.0595
Schistosoma mansoni	suppressor of variegation 4-20-related	0.0136	0.0833	0.1633
Echinococcus granulosus	S adenosylmethionine decarboxylase proenzyme	0.0108	0.0626	0.1215
Schistosoma mansoni	hypothetical protein	0.0039	0.0123	0.0197
Plasmodium falciparum	protein arginine N-methyltransferase 1	0.0031	0.0063	0.011
Schistosoma mansoni	hypothetical protein	0.0171	0.1088	0.2149
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.006	0.0276	0.3927
Leishmania major	hypothetical protein, conserved	0.0039	0.0123	0.0765
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0051	0.0024
Brugia malayi	Bromodomain containing protein	0.0029	0.0051	0.0056
Leishmania major	S-adenosylmethionine decarboxylase	0.0108	0.0626	0.5933
Brugia malayi	Protein arginine N-methyltransferase	0.0029	0.0049	0.0053
Brugia malayi	F/Y-rich N-terminus family protein	0.003	0.0053	0.0058
Echinococcus multilocularis	PWWP domain containing protein 2A	0.0039	0.0123	0.0197
Schistosoma mansoni	histone J3 methyltransferase	0.013	0.079	0.1546
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.006	0.0276	0.3927
Toxoplasma gondii	hypothetical protein	0.017	0.1086	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0405	0.0415
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0237	0.1572	0.313
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0188	0.1216	0.2409
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.0396	0.075
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0136	0.0222
Echinococcus granulosus	protein arginine N methyltransferase 8	0.0031	0.0063	0.0074
Echinococcus granulosus	methyltransferase protein 5	0.0029	0.0049	0.0046
Echinococcus multilocularis	cpg binding protein	0.0098	0.0556	0.1074
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.0541	0.1043
Schistosoma mansoni	disco-interacting protein 2 (dip2)	0.0078	0.0405	0.0767
Brugia malayi	hypothetical protein	0.0237	0.157	0.1717
Brugia malayi	Histone-lysine N-methyltransferase, H3 lysine-79 specific	0.013	0.079	0.0863
Echinococcus granulosus	PWWP domain containing protein 2A	0.0039	0.0123	0.0197
Brugia malayi	SET domain containing protein	0.0136	0.0833	0.0911
Toxoplasma gondii	histone arginine methyltransferase PRMT1	0.0031	0.0063	0.0134
Trypanosoma cruzi	S-adenosylmethionine decarboxylase proenzyme, putative	0.0108	0.0626	1
Entamoeba histolytica	arginine N-methyltransferase protein, putative	0.006	0.0276	0.233
Loa Loa (eye worm)	Carm1-pending protein	0.0147	0.0911	0.097
Onchocerca volvulus		0.0237	0.1572	0.1529
Entamoeba histolytica	hypothetical protein	0.0039	0.0123	0.0765
Echinococcus multilocularis	protein arginine N methyltransferase 7	0.0029	0.0049	0.0046
Entamoeba histolytica	hypothetical protein	0.006	0.0276	0.233
Echinococcus multilocularis	protein arginine methyltransferase	0.0031	0.0063	0.0074
Echinococcus multilocularis	geminin	0.0171	0.1088	0.2149
Plasmodium falciparum	histone-lysine N-methyltransferase, putative	0.0083	0.0444	0.3799
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0031	0.0063	0.0014
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0097	0.0143
Toxoplasma gondii	DNA methyltransferase 2, putative	0.0162	0.1022	0.9388
Loa Loa (eye worm)	S-adenosylmethionine decarboxylase proenzyme	0.0108	0.0626	0.0658
Schistosoma mansoni	hypothetical protein	0.0039	0.0123	0.0197
Trypanosoma brucei	transcription elongation factor s-II, putative	0.0039	0.0123	0.0765
Echinococcus multilocularis	S adenosylmethionine decarboxylase proenzyme	0.0108	0.0626	0.1215
Schistosoma mansoni	hypothetical protein	0.0039	0.0123	0.0197
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0281	0.0279
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0051	0.0024
Trypanosoma brucei	S-adenosylmethionine decarboxylase	0.0108	0.0626	0.5933
Echinococcus granulosus	protein arginine N methyltransferase 7	0.0029	0.0049	0.0046
Trypanosoma brucei	cytosine-specific DNA methylase, putative	0.0162	0.1022	1
Schistosoma mansoni	hepatoma derived growth factor	0.0039	0.0123	0.0197
Echinococcus granulosus	peregrin	0.0069	0.0339	0.0633
Schistosoma mansoni	cpg binding protein	0.0098	0.0556	0.1074
Echinococcus multilocularis	histone lysine n methyltransferase setb1	0.0034	0.0086	0.0121
Brugia malayi	Disco-interacting protein 2 homolog	0.0078	0.0405	0.0443
Trypanosoma cruzi	transcription elongation factor-like protein, putative	0.0039	0.0123	0.1289
Loa Loa (eye worm)	SET domain-containing protein	0.02	0.1304	0.1401
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0073	0.037	0.0697
Echinococcus granulosus	SET and MYND domain containing protein 3	0.0071	0.0358	0.0672
Brugia malayi	NNMT/PNMT/TEMT family protein	0.0906	0.6479	0.7084
Loa Loa (eye worm)	protein arginine N-methyltransferase	0.0029	0.0049	0.0025
Echinococcus granulosus	histone lysine n methyltransferase suv420h1	0.0136	0.0833	0.1633
Echinococcus multilocularis	hepatoma derived growth factor protein	0.0039	0.0123	0.0197
Echinococcus granulosus	PWWP domain containing protein 2A	0.0039	0.0123	0.0197
Brugia malayi	Pre-SET motif family protein	0.0162	0.1026	0.1122
Schistosoma mansoni	cpg binding protein	0.0098	0.0556	0.1074
Schistosoma mansoni	phd finger protein	0.0039	0.0123	0.0197
Brugia malayi	hypothetical protein	0.006	0.0276	0.0301
Trypanosoma cruzi	S-adenosylmethionine decarboxylase proenzyme, putative	0.0108	0.0626	1
Loa Loa (eye worm)	SET domain-containing protein	0.0136	0.0833	0.0885
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0028	0.0038	0.0025
Toxoplasma gondii	histone arginine methyltransferase PRMT4/CARM1	0.0147	0.0911	0.8314

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 909044