TDR Targets

Basic information

Technical information

TDR Targets ID: 736846
Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-methyl-1,4- diazepane
MW: 264.363 | Formula: C15H24N2O2
H donors: 0 H acceptors: 0 LogP: 1.87 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)CN1CCCN(CC1)C)OC
InChi: 1S/C15H24N2O2/c1-16-7-4-8-17(10-9-16)12-13-11-14(18-2)5-6-15(13)19-3/h5-6,11H,4,7-10,12H2,1-3H3
InChiKey: VFZGNMRLICHPEZ-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

1-(2,5-dimethoxybenzyl)-4-methyl-1,4-diazepane
1-(2,5-Dimethoxy-benzyl)-4-methyl-[1,4]diazepane
BAS 00638493
Oprea1_156522
Oprea1_071499

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
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0067	0.0667	0.0682
Echinococcus granulosus	alkaline phosphatase	0.0176	0.2246	0.2306
Brugia malayi	Bromodomain containing protein	0.0114	0.1346	0.1491
Schistosoma mansoni	microtubule-associated protein tau	0.0682	0.9587	1
Echinococcus multilocularis	intestinal type alkaline phosphatase	0.0176	0.2246	0.2306
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1117	0.1228
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0057	0.0525	0.0533
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.008	0.0038
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.009	0.0995	0.8342
Trypanosoma brucei	ISWI complex protein	0.0045	0.0355	1
Schistosoma mansoni	hypothetical protein	0.0061	0.0585	0.0596
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0044	0.034	0.0308
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.009	0.0994	0.1023
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0174	0.0132
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0223	0.0186
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0223	0.0218
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.014	0.1729	0.1791
Brugia malayi	Pre-SET motif family protein	0.0624	0.8749	1
Echinococcus granulosus	jumonji domain containing protein	0.008	0.0849	0.0843
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0174	0.0132
Leishmania major	trypanothione reductase	0.0039	0.0265	0.3872
Echinococcus granulosus	lysine specific demethylase 5A	0.0075	0.0781	0.0771
Brugia malayi	PHD-finger family protein	0.0074	0.0769	0.0828
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0525	0.0547
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.01	0.114	1
Echinococcus multilocularis	jumonji domain containing protein	0.008	0.0849	0.0843
Schistosoma mansoni	alkaline phosphatase	0.0176	0.2246	0.2331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0043	0.0001
Loa Loa (eye worm)	hypothetical protein	0.021	0.2744	0.3098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0114	0.0071
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.009	0.0994	0.1023
Loa Loa (eye worm)	bromodomain containing protein	0.0052	0.0457	0.0469
Brugia malayi	PHD-finger family protein	0.0057	0.0525	0.0547
Brugia malayi	RNA binding protein	0.0063	0.0614	0.065
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0044	0.034	0.034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0043	0.0001
Echinococcus granulosus	histone lysine methyltransferase setb	0.014	0.1729	0.1765
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0208	0.0166
Echinococcus multilocularis	lysine specific demethylase 5A	0.0069	0.0699	0.0685
Echinococcus granulosus	tumor protein p63	0.0329	0.4462	0.4629
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0208	0.0166
Echinococcus multilocularis	peregrin	0.0064	0.0627	0.0609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0174	0.0132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0174	0.0132
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0177	0.2269	0.233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.034	0.0298
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0614	0.0627
Schistosoma mansoni	alkaline phosphatase	0.0176	0.2246	0.2331
Echinococcus multilocularis	alkaline phosphatase	0.0176	0.2246	0.2306
Loa Loa (eye worm)	PHD-finger family protein	0.0057	0.0525	0.0547
Toxoplasma gondii	thioredoxin reductase	0.0039	0.0265	0.1105
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0614	0.0627
Echinococcus granulosus	peregrin	0.0064	0.0627	0.0609
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0051	0.043	0.0404
Plasmodium vivax	SET domain protein, putative	0.009	0.0994	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.01	0.114	1
Echinococcus granulosus	zinc finger protein	0.0058	0.0539	0.0518
Mycobacterium tuberculosis	Probable dehydrogenase	0.009	0.0995	0.8342
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0177	0.2269	0.233
Leishmania major	hypothetical protein, conserved	0.0045	0.0355	1
Schistosoma mansoni	zinc finger protein	0.0045	0.0355	0.0356
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.008	0.0038
Toxoplasma gondii	PHD-finger domain-containing protein	0.0057	0.0525	0.4272
Schistosoma mansoni	bromodomain containing protein	0.0188	0.2423	0.2516
Echinococcus multilocularis	alkaline phosphatase, intestinal, gene 2	0.0176	0.2246	0.2306
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0044	0.034	0.0308
Echinococcus multilocularis	intestinal type alkaline phosphatase 1	0.0176	0.2246	0.2306
Echinococcus granulosus	microtubule associated protein 2	0.0682	0.9587	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0174	0.0132
Echinococcus granulosus	intestinal type alkaline phosphatase	0.0176	0.2246	0.2306
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0044	0.034	0.8958
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.009	0.0995	0.8342
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0044	0.034	0.8958
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0075	0.0781	0.0801
Brugia malayi	Pre-SET motif family protein	0.009	0.0994	0.1086
Echinococcus multilocularis	thioredoxin glutathione reductase	0.004	0.0273	0.0238
Plasmodium vivax	hypothetical protein, conserved	0.0057	0.0525	0.3561
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0075	0.0781	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1451	0.1612
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.008	0.0038
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0393	0.0396
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0187	0.2411	0.2479
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0223	0.0186
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.034	0.0298
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.009	0.0994	0.0994
Brugia malayi	F/Y-rich N-terminus family protein	0.0028	0.0096	0.0055
Brugia malayi	jmjC domain containing protein	0.0075	0.0781	0.0842
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0614	0.065
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.009	0.0994	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0624	0.8749	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0057	0.0525	0.0502
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0245	0.0204
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0044	0.034	0.9569
Trichomonas vaginalis	set domain proteins, putative	0.071	1	1
Echinococcus granulosus	alkaline phosphatase intestinal gene 2	0.0176	0.2246	0.2306
Trypanosoma cruzi	trypanothione reductase, putative	0.0039	0.0265	0.3872
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0174	0.0132
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0107	0.1244	0.1256
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0174	0.0132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0076	0.0034
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0051	0.043	0.0404
Trypanosoma cruzi	ISWI complex protein	0.0045	0.0355	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0044	0.034	0.8958
Onchocerca volvulus		0.009	0.0994	0.0625
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0614	0.0596
Echinococcus granulosus	thioredoxin glutathione reductase	0.004	0.0273	0.0238
Loa Loa (eye worm)	jmjC domain-containing protein	0.0118	0.1408	0.1562
Giardia lamblia	PHD finger protein 15	0.0057	0.0525	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0051	0.043	0.0435
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0208	0.0166
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0051	0.043	0.0435
Trypanosoma cruzi	ISWI complex protein	0.0045	0.0355	1
Loa Loa (eye worm)	PHD-finger family protein	0.0061	0.0585	0.0616
Brugia malayi	jmjC domain containing protein	0.0187	0.2411	0.2715
Echinococcus multilocularis	microtubule associated protein 2	0.0682	0.9587	1
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0614	0.065
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.014	0.1729	0.1765
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0107	0.1244	0.1256
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0614	0.0627
Schistosoma mansoni	zinc finger protein	0.0058	0.0539	0.0548
Schistosoma mansoni	jumonji domain containing protein	0.0149	0.1853	0.1921
Echinococcus multilocularis	tumor protein p63	0.0329	0.4462	0.4629
Loa Loa (eye worm)	glutathione reductase	0.0039	0.0265	0.0249
Brugia malayi	TAR-binding protein	0.0063	0.0614	0.065
Brugia malayi	glutathione reductase	0.0039	0.0265	0.0249
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0044	0.034	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0614	0.0627
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.014	0.1729	0.1791
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0035	0.0208	0.587
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0043	0.0001
Echinococcus multilocularis	zinc finger protein	0.0058	0.0539	0.0518
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.01	0.114	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.034	0.0334
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.009	0.0995	0.8342
Onchocerca volvulus	Alhambra homolog	0.0057	0.0525	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0043	0.0001
Trypanosoma brucei	trypanothione reductase	0.0039	0.0265	0.7469
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0086	0.0946	0.0944
Toxoplasma gondii	PHD-finger domain-containing protein	0.0057	0.0525	0.4272
Brugia malayi	Thioredoxin reductase	0.0039	0.0265	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1534	0.1707
Loa Loa (eye worm)	thioredoxin reductase	0.0039	0.0265	0.0249
Schistosoma mansoni	hypothetical protein	0.0057	0.0525	0.0533
Echinococcus granulosus	intestinal type alkaline phosphatase 1	0.0176	0.2246	0.2306
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0208	0.0166
Brugia malayi	Bromodomain containing protein	0.0223	0.2928	0.331
Brugia malayi	hypothetical protein	0.0036	0.0223	0.02
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.034	0.0298
Brugia malayi	Bromodomain containing protein	0.0064	0.0627	0.0664
Schistosoma mansoni	hypothetical protein	0.0091	0.102	0.1051
Schistosoma mansoni	hypothetical protein	0.0036	0.0223	0.0218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0208	0.0166
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0044	0.034	0.8958
Schistosoma mansoni	hypothetical protein	0.0045	0.0355	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1349	0.1495
Loa Loa (eye worm)	hypothetical protein	0.014	0.1729	0.1931
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0076	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0127	0.0085
Mycobacterium tuberculosis	Probable oxidoreductase	0.01	0.114	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0044	0.034	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0067	0.0667	0.0652
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0067	0.0667	0.0652
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0187	0.2411	0.2479
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0614	0.065
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0057	0.0525	0.0502
Mycobacterium tuberculosis	Probable reductase	0.009	0.0995	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0393	0.0396
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0614	0.0627
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0044	0.034	0.9569
Loa Loa (eye worm)	jmjC domain-containing protein	0.0075	0.0781	0.0842
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.034	0.0334
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.009	0.0995	0.8342
Plasmodium falciparum	phd finger protein, putative	0.0057	0.0525	1
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0614	0.0596
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0614	0.065

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 736846