TDR Targets

Basic information

Technical information

TDR Targets ID: 884491
Name: 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-2-pro p-2-enylpurino[7,8-a]imidazole-1,3-dione
MW: 386.448 | Formula: C19H26N6O3
H donors: 0 H acceptors: 3 LogP: 1.48 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)CCCN1CCOCC1)C
InChi: 1S/C19H26N6O3/c1-4-6-24-17(26)15-16(21(3)19(24)27)20-18-23(14(2)13-25(15)18)8-5-7-22-9-11-28-12-10-22/h4,13H,1,5-12H2,2-3H3
InChiKey: VRKHMMMAZXMOMV-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

2-allyl-4,7-dimethyl-6-(3-morpholinopropyl)purino[7,8-a]imidazole-1,3-dione
2-allyl-4,7-dimethyl-6-(3-morpholinopropyl)purino[7,8-a]imidazole-1,3-quinone
4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

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	0.2594	0.7326	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1347	0.2397	1
Loa Loa (eye worm)	hypothetical protein	0.1347	0.2397	0.2491
Schistosoma mansoni	cathepsin F (C01 family)	0.0933	0.0763	0.1041
Echinococcus granulosus	cathepsin l1	0.0933	0.0763	0.1041
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3271	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3271	1	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.2594	0.7326	1
Leishmania major	cathepsin L-like protease	0.3271	1	1
Brugia malayi	Cathepsin L-like precursor	0.1347	0.2397	0.3273
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.1347	0.2397	1
Trypanosoma cruzi	cysteine peptidase, putative	0.3271	1	1
Echinococcus multilocularis	cysteine protease	0.1347	0.2397	0.3273
Trypanosoma cruzi	cysteine peptidase, putative	0.3271	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3271	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.3271	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3271	1	1
Echinococcus granulosus	cathepsin l1	0.1347	0.2397	0.3273
Echinococcus multilocularis	cathepsin b	0.2594	0.7326	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3271	1	1
Brugia malayi	Cathepsin L-like precursor	0.0933	0.0763	0.1041
Echinococcus multilocularis	cysteine protease	0.1347	0.2397	0.3273
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2594	0.7326	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.1347	0.2397	0.3273
Onchocerca volvulus		0.1347	0.2397	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.1347	0.2397	0.3273
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3271	1	1
Giardia lamblia	Cathepsin B precursor	0.128	0.2134	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Onchocerca volvulus	Cathepsin L homolog	0.1347	0.2397	1
Trypanosoma cruzi	cysteine peptidase, putative	0.1347	0.2397	0.2397
Giardia lamblia	Cathepsin B precursor	0.128	0.2134	0.5
Loa Loa (eye worm)	cysteine protease	0.1347	0.2397	0.2491
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Echinococcus granulosus	cathepsin b	0.2594	0.7326	1
Brugia malayi	Cathepsin L-like precursor	0.0933	0.0763	0.1041
Onchocerca volvulus		0.1347	0.2397	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Leishmania major	cathepsin L-like protease	0.1347	0.2397	0.0335
Brugia malayi	Cathepsin L-like precursor	0.1347	0.2397	0.3273
Leishmania major	cathepsin L-like protease	0.1347	0.2397	0.0335
Echinococcus granulosus	cathepsin l cysteine peptidase	0.1347	0.2397	0.3273
Onchocerca volvulus		0.1347	0.2397	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.128	0.2134	0.2134
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.2594	0.7326	0.7326
Toxoplasma gondii	cathepsin CPL	0.1347	0.2397	1
Brugia malayi	Cathepsin L-like precursor	0.1347	0.2397	0.3273
Schistosoma mansoni	cathepsin F (C01 family)	0.1347	0.2397	0.3273
Onchocerca volvulus	Cathepsin F homolog	0.1347	0.2397	1
Leishmania major	cathepsin L-like protease	0.3271	1	1
Onchocerca volvulus		0.1347	0.2397	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2594	0.7326	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.2594	0.7326	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0933	0.0763	0.3182
Trypanosoma cruzi	major cysteine proteinase, putative	0.225	0.5968	0.5968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1347	0.2397	1
Plasmodium vivax	vivapain-2	0.1347	0.2397	1
Brugia malayi	cathepsin L-like precursor	0.0933	0.0763	0.1041
Echinococcus granulosus	cathepsin b	0.2594	0.7326	1
Brugia malayi	Cathepsin L-like precursor	0.1347	0.2397	0.3273
Leishmania major	cathepsin L-like protease	0.1347	0.2397	0.0335
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3271	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1347	0.2397	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Entamoeba histolytica	cysteine proteinase, putative	0.1347	0.2397	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1347	0.2397	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.1347	0.2397	0.2491
Entamoeba histolytica	cysteine proteinase, putative	0.1347	0.2397	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.128	0.2134	0.2134
Brugia malayi	Cathepsin L-like precursor	0.1347	0.2397	0.3273
Schistosoma mansoni	cathepsin F (C01 family)	0.1347	0.2397	0.3273
Onchocerca volvulus		0.1347	0.2397	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.1347	0.2397	0.3273
Plasmodium falciparum	cysteine proteinase falcipain 3	0.1347	0.2397	1
Brugia malayi	Papain family cysteine protease containing protein	0.1347	0.2397	0.3273
Leishmania major	cathepsin L-like protease	0.1347	0.2397	0.0335
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0933	0.0763	0.3182
Onchocerca volvulus		0.1347	0.2397	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1347	0.2397	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3271	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1347	0.2397	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.128	0.2134	0.8901
Onchocerca volvulus	Cathepsin L homolog	0.1347	0.2397	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.2857	0.8365	0.8365
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.128	0.2134	0.2913
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0933	0.0763	0.1041
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1347	0.2397	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2594	0.7326	1
Entamoeba histolytica	cysteine proteinase, putative	0.0933	0.0763	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3271	1	1
Leishmania major	cysteine peptidase A (CPA)	0.1347	0.2397	0.0335
Plasmodium vivax	vivapain-2	0.1347	0.2397	1
Loa Loa (eye worm)	fibroinase	0.1347	0.2397	0.2491
Echinococcus multilocularis	cathepsin b	0.2594	0.7326	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3271	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.1347	0.2397	0.2491
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Giardia lamblia	Cathepsin B precursor	0.128	0.2134	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.3271	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1347	0.2397	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1347	0.2397	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3271	1	1
Leishmania major	cathepsin L-like protease	0.1347	0.2397	0.0335
Loa Loa (eye worm)	ctsf protein	0.1347	0.2397	0.2491
Onchocerca volvulus		0.1347	0.2397	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Entamoeba histolytica	cysteine protease, putative	0.1347	0.2397	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1347	0.2397	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1347	0.2397	0.3273
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1347	0.2397	0.3273
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1347	0.2397	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1347	0.2397	1
Loa Loa (eye worm)	cathepsin B	0.128	0.2134	0.2089
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.1347	0.2397	1
Brugia malayi	Cathepsin L-like precursor	0.1347	0.2397	0.3273

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 884491