TDR Targets

Basic information

Technical information

TDR Targets ID: 874261
Name: N-(3-propan-2-yloxypropyl)-7,8,9,10-tetrahydr o-6H-purino[9,8-a]azepin-4-amine
MW: 303.403 | Formula: C16H25N5O
H donors: 1 H acceptors: 3 LogP: 2.45 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(OCCCNc1ncnc2c1nc1n2CCCCC1)C
InChi: 1S/C16H25N5O/c1-12(2)22-10-6-8-17-15-14-16(19-11-18-15)21-9-5-3-4-7-13(21)20-14/h11-12H,3-10H2,1-2H3,(H,17,18,19)
InChiKey: FUXSXUHCRJLQAB-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

N-(3-isopropoxypropyl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine
3-isopropoxypropyl-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)amine

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
Giardia lamblia	Cyclin fold protein 1, putative	0.0028	0.1412	0.2194
Trichomonas vaginalis	cyclin D, putative	0.0117	0.6436	0.585
Entamoeba histolytica	cyclin, putative	0.0117	0.6436	1
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.018	1	1
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0028	0.1412	0.1599
Trypanosoma brucei	mitotic cyclin	0.0028	0.1412	0.1531
Echinococcus granulosus	cyclins	0.0117	0.6436	0.718
Echinococcus granulosus	cyclin B	0.0117	0.6436	0.718
Echinococcus multilocularis	ankyrin repeat protein	0.0158	0.8777	0.9781
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0028	0.1412	0.2181
Echinococcus granulosus	cyclin b3	0.0117	0.6436	0.718
Leishmania major	cyclin 9, putative	0.0028	0.1412	0.1531
Echinococcus granulosus	cyclin y	0.0028	0.1412	0.1566
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0028	0.1412	0.2181
Leishmania major	mitotic cyclin, putative	0.0028	0.1412	0.1531
Trypanosoma brucei	cyclin 9	0.0028	0.1412	0.1531
Leishmania major	cyclin	0.0117	0.6436	1
Echinococcus multilocularis	cyclins	0.0117	0.6436	0.7169
Onchocerca volvulus	Cyclin L homolog	0.0028	0.1412	0.1531
Onchocerca volvulus		0.0028	0.1412	0.1531
Schistosoma mansoni	cyclin l	0.0028	0.1412	0.1599
Echinococcus multilocularis	calcium activated potassium channel	0.0006	0.0169	0.0177
Schistosoma mansoni	cyclin B3	0.0117	0.6436	0.733
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0504	0.0768
Echinococcus granulosus	calcium activated potassium channel	0.0006	0.0169	0.0177
Trichomonas vaginalis	cyclin D, putative	0.0117	0.6436	0.585
Echinococcus granulosus	cyclins	0.0028	0.1412	0.1566
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0117	0.6436	0.718
Schistosoma mansoni	dihydropteridine reductase	0.0012	0.0504	0.0563
Loa Loa (eye worm)	oxidoreductase	0.0012	0.0504	0.0768
Onchocerca volvulus		0.0117	0.6436	1
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.018	1	1
Leishmania major	mitotic cyclin, putative	0.0028	0.1412	0.1531
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0012	0.0504	0.0768
Loa Loa (eye worm)	cyclin domain-containing protein	0.0028	0.1412	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1412	0.2181
Echinococcus multilocularis	cyclins	0.0117	0.6436	0.7169
Schistosoma mansoni	hypothetical protein	0.0028	0.1412	0.1599
Loa Loa (eye worm)	cyclin domain-containing protein	0.0028	0.1412	0.2181
Echinococcus multilocularis	cyclin y	0.0028	0.1412	0.1564
Trichomonas vaginalis	cyclin A, putative	0.0117	0.6436	0.585
Echinococcus granulosus	ankyrin repeat protein	0.0158	0.8777	0.9796
Schistosoma mansoni	cyclin d	0.0028	0.1412	0.1599
Entamoeba histolytica	cyclin family protein	0.0117	0.6436	1
Loa Loa (eye worm)	hypothetical protein	0.0117	0.6436	1
Loa Loa (eye worm)	CYL-1 protein	0.0028	0.1412	0.2181
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.018	1	1
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0117	0.6436	0.7169
Echinococcus granulosus	G1:S specific cyclin D1	0.0028	0.1412	0.1566
Echinococcus multilocularis	cyclins	0.0117	0.6436	0.7169
Echinococcus multilocularis	cyclin B3 1	0.0117	0.6436	0.7169
Echinococcus granulosus	cyclin G2	0.0028	0.1412	0.1566
Trichomonas vaginalis	cyclin B, putative	0.0117	0.6436	0.585
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0012	0.0504	0.0768
Echinococcus multilocularis	G1:S specific cyclin D1	0.0028	0.1412	0.1564
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0028	0.1412	0.2181
Loa Loa (eye worm)	cyclin domain-containing protein	0.0028	0.1412	0.2181
Entamoeba histolytica	cyclin family protein	0.0117	0.6436	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0028	0.1412	0.0956
Schistosoma mansoni	Cyclin fold protein	0.0028	0.1412	0.1599
Trichomonas vaginalis	cyclins, putative	0.0117	0.6436	0.585
Plasmodium vivax	cyclin 4, putative	0.0028	0.1412	0.0956
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0028	0.1412	0.2181
Schistosoma mansoni	cyclin k	0.0028	0.1412	0.1599
Trichomonas vaginalis	cyclin B3, putative	0.0117	0.6436	0.585
Trypanosoma cruzi	mitotic cyclin, putative	0.0028	0.1412	0.1531
Echinococcus granulosus	cyclins	0.0117	0.6436	0.718
Echinococcus multilocularis	transient receptor potential cation channel	0.0003	0.001	0.00000020975
Entamoeba histolytica	cyclin C, putative	0.0028	0.1412	0.1531
Toxoplasma gondii	cyclin domain protein, cyclin H family protein	0.0028	0.1412	0.0956
Trichomonas vaginalis	cyclin B, putative	0.0117	0.6436	0.585
Brugia malayi	Cyclin C	0.0028	0.1412	0.2181
Trypanosoma cruzi	hypothetical protein, conserved	0.0028	0.1412	0.1531
Brugia malayi	hypothetical protein	0.0028	0.1412	0.2181
Trichomonas vaginalis	cyclins, putative	0.0117	0.6436	0.585
Giardia lamblia	Hypothetical protein	0.0117	0.6436	1
Plasmodium falciparum	cyclin 1	0.0028	0.1412	0.0956
Toxoplasma gondii	cyclin, N-terminal domain-containing protein	0.0028	0.1412	0.0956
Trichomonas vaginalis	hypothetical protein	0.018	1	1
Echinococcus multilocularis	cyclin A3 4	0.0028	0.1412	0.1564
Echinococcus granulosus	transient receptor potential cation channel	0.0003	0.001	0.00000021007
Trichomonas vaginalis	cyclin B, putative	0.0117	0.6436	0.585
Trypanosoma cruzi	cyclin 6, putative	0.0117	0.6436	1
Echinococcus multilocularis	Cyclin L1	0.0028	0.1412	0.1564
Echinococcus granulosus	cyclins	0.0117	0.6436	0.718
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0012	0.0504	0.0768
Toxoplasma gondii	hypothetical protein	0.0028	0.1412	0.0956
Toxoplasma gondii	cyclin dependent kinase binding protein	0.0028	0.1412	0.0956
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0012	0.0504	0.0563
Echinococcus granulosus	cyclin t1	0.0028	0.1412	0.1566
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0028	0.1412	0.2181
Trypanosoma cruzi	cyclin, putative	0.0117	0.6436	1
Trypanosoma cruzi	cyclin, putative	0.0117	0.6436	1
Echinococcus multilocularis	cyclins	0.0117	0.6436	0.7169
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0028	0.1412	0.2181
Trypanosoma cruzi	cyclin 9, putative	0.0028	0.1412	0.1531
Trypanosoma cruzi	mitotic cyclin, putative	0.0028	0.1412	0.1531
Loa Loa (eye worm)	cyclin domain-containing protein	0.0117	0.6436	1
Schistosoma mansoni	cyclin B	0.0117	0.6436	0.733
Schistosoma mansoni	cyclin G2	0.0028	0.1412	0.1599
Plasmodium vivax	cyclin homologue, putative	0.0028	0.1412	0.0956
Trichomonas vaginalis	cyclin B, putative	0.0117	0.6436	0.585
Entamoeba histolytica	cyclin, domain containing protein	0.0028	0.1412	0.1531
Echinococcus multilocularis	cyclin B	0.0117	0.6436	0.7169
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.0158	0.8777	1
Brugia malayi	cyclin fold protein 1 variant b	0.0028	0.1412	0.2181
Echinococcus granulosus	cyclin k	0.0028	0.1412	0.1566
Loa Loa (eye worm)	hypothetical protein	0.0117	0.6436	1
Plasmodium vivax	cyclin dependent kinase binding protein, putative	0.0028	0.1412	0.0956
Giardia lamblia	Hypothetical protein	0.0028	0.1412	0.2194
Plasmodium falciparum	cyclin dependent kinase binding protein, putative	0.0028	0.1412	0.0956
Toxoplasma gondii	hypothetical protein	0.0089	0.4838	0.4564
Echinococcus multilocularis	transient receptor potential cation channel	0.0162	0.8974	1
Giardia lamblia	Cyclin A	0.0117	0.6436	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0117	0.6436	1
Trypanosoma brucei	mitotic cyclin 6	0.0117	0.6436	1
Schistosoma mansoni	cyclins	0.0117	0.6436	0.733
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.018	1	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0117	0.6436	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0028	0.1412	0.2181
Giardia lamblia	G2/mitotic-specific cyclin B	0.0117	0.6436	1
Echinococcus granulosus	cyclin	0.0028	0.1412	0.1566
Schistosoma mansoni	hypothetical protein	0.0028	0.1412	0.1599
Echinococcus multilocularis	cyclins	0.0117	0.6436	0.7169
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.018	1	1
Echinococcus multilocularis	cyclin	0.0028	0.1412	0.1564
Trichomonas vaginalis	cyclins, putative	0.0117	0.6436	0.585
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0028	0.1412	0.2181
Trichomonas vaginalis	cyclins, putative	0.0117	0.6436	0.585
Echinococcus granulosus	cyclin G2	0.0028	0.1412	0.1566
Echinococcus multilocularis	cyclins	0.0117	0.6436	0.7169
Echinococcus granulosus	cyclin A3 4	0.0028	0.1412	0.1566
Loa Loa (eye worm)	cyclin C	0.0028	0.1412	0.2181
Giardia lamblia	Cyclin B-like protein	0.0028	0.1412	0.2194
Schistosoma mansoni	cyclin G	0.0028	0.1412	0.1599
Trichomonas vaginalis	cyclin B, putative	0.0117	0.6436	0.585
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.1412	0.0956
Echinococcus granulosus	Cyclin L1	0.0028	0.1412	0.1566
Onchocerca volvulus	Cyclin L homolog	0.0028	0.1412	0.1531
Loa Loa (eye worm)	cyclin fold protein 1 variant b	0.0028	0.1412	0.2181
Brugia malayi	hypothetical protein	0.0028	0.1412	0.2181
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0012	0.0504	0.0768
Echinococcus multilocularis	cyclin G2	0.0028	0.1412	0.1564
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0117	0.6436	1
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.0028	0.1412	0.1564
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0012	0.0504	0.0552
Schistosoma mansoni	g1/s-specific cyclin C	0.0028	0.1412	0.1599
Toxoplasma gondii	cyclin 4, putative	0.0028	0.1412	0.0956
Echinococcus multilocularis	cyclin t1	0.0028	0.1412	0.1564
Entamoeba histolytica	cyclin, putative	0.0117	0.6436	1
Trypanosoma brucei	cyclin dependent kinase-binding protein, putative	0.0028	0.1412	0.1531
Echinococcus granulosus	cyclin y	0.0028	0.1412	0.1566
Echinococcus granulosus	cyclin B3 1	0.0117	0.6436	0.718
Onchocerca volvulus	Protein CNPPD1 homolog	0.0028	0.1412	0.1531
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0117	0.6436	1
Echinococcus multilocularis	cyclin b3	0.0117	0.6436	0.7169
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0012	0.0504	0.0551
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.0028	0.1412	0.1566
Echinococcus multilocularis	cdk5 and abl1 enzyme substrate 1	0.0028	0.1412	0.1564
Echinococcus multilocularis	cyclin y	0.0028	0.1412	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1412	0.2181
Echinococcus granulosus	cyclins	0.0117	0.6436	0.718
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0117	0.6436	1
Echinococcus multilocularis	cyclin G2	0.0028	0.1412	0.1564
Giardia lamblia	Hypothetical protein	0.0028	0.1412	0.2194
Echinococcus multilocularis	cyclin k	0.0028	0.1412	0.1564
Echinococcus granulosus	cyclins	0.0117	0.6436	0.718
Plasmodium falciparum	cyclin	0.0117	0.6436	0.6247
Echinococcus granulosus	transient receptor potential cation channel	0.0161	0.896	1
Trichomonas vaginalis	conserved hypothetical protein	0.0117	0.6436	0.585
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.018	1	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0028	0.1412	0.2181
Echinococcus multilocularis	cyclins	0.0117	0.6436	0.7169
Loa Loa (eye worm)	cyclin domain-containing protein	0.0028	0.1412	0.2181
Plasmodium falciparum	enoyl-acyl carrier reductase	0.018	1	1
Trypanosoma brucei	cyclin 3	0.0028	0.1412	0.1531
Entamoeba histolytica	hypothetical protein	0.0028	0.1412	0.1531
Entamoeba histolytica	cyclin, domain containing protein	0.0028	0.1412	0.1531
Trichomonas vaginalis	cyclins, putative	0.0117	0.6436	0.585
Echinococcus granulosus	cdk5 and abl1 enzyme substrate 1	0.0028	0.1412	0.1566

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 874261