TDR Targets

Basic information

Technical information

TDR Targets ID: 181786
Name: 4-propyl-1,7,8,9-tetrahydropyrimido[2,1-f]pur in-5-one
MW: 233.27 | Formula: C11H15N5O
H donors: 1 H acceptors: 2 LogP: 0.55 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCCn1c(=O)n2CCCN=c2c2c1nc[nH]2
InChi: 1S/C11H15N5O/c1-2-5-15-10-8(13-7-14-10)9-12-4-3-6-16(9)11(15)17/h7H,2-6H2,1H3,(H,13,14)
InChiKey: LIBCKYBPWNCEOY-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

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
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0331	0.4911	0.7217
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.0257	0.0197
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0123	0.1012	0.1498
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0087	0.0335	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0151	0.1538	0.213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0602	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0087	0.0335	0.0315
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0087	0.0335	0.1032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0115	0.0864	0.1279
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0087	0.0335	0.0315
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0123	0.1012	0.0897
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0123	0.1012	0.2779
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0224	0.2895	0.4285
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0547	0.8962	0.8948
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0365	0.5553	0.8185
Leishmania major	hypothetical protein, conserved	0.0217	0.2771	1
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0087	0.0335	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.0674	0.0827
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0151	0.1538	0.213
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0123	0.1012	0.2779
Loa Loa (eye worm)	hypothetical protein	0.025	0.3383	0.3846
Echinococcus multilocularis	Zinc finger, PHD finger	0.0087	0.0335	0.0211
Giardia lamblia	GTOR	0.0123	0.1012	0.1396
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0087	0.0335	0.0315
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0123	0.1012	0.1336
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.025	0.3383	0.3299
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0087	0.0335	0.0315
Loa Loa (eye worm)	phosphatidylinositol 3	0.0115	0.0864	0.0982
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0151	0.1538	0.213
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0123	0.1012	0.5892
Echinococcus multilocularis	serine protein kinase ATM	0.0105	0.0674	0.0555
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0087	0.0335	0.0315
Loa Loa (eye worm)	phosphatidylinositol 3	0.0145	0.1414	0.1607
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0151	0.1538	0.213
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0126	0.0143
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0087	0.0335	0.1032
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0087	0.0335	0.0315
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0224	0.2895	0.2805
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0331	0.4911	0.7217
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0429	0.6757	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0083	0.0257	0.0197
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0123	0.1012	0.5892
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.025	0.3383	0.3299
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0145	0.1414	0.4429
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0123	0.1012	0.1498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0257	0.0292
Loa Loa (eye worm)	phosphatidylinositol 3	0.0538	0.8797	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0224	0.2895	0.4177
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0105	0.0674	0.3257
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0151	0.1538	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0123	0.1012	0.0897
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0123	0.1012	0.0897
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0087	0.0335	0.0381
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Toxoplasma gondii	FATC domain-containing protein	0.0105	0.0674	0.5528
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Entamoeba histolytica	hypothetical protein	0.0105	0.0674	0.0827
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0151	0.1538	0.2277
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0151	0.1538	0.213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0547	0.8962	0.8948
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0429	0.6757	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0123	0.1012	0.115
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0087	0.0335	0.0211
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0602	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0076	0.0126	0.0187
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0123	0.1012	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0087	0.0335	0.0211
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0429	0.6757	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0105	0.0674	0.0998
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0105	0.0674	0.0827
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0123	0.1012	0.1336
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0185	0.218	0.3098
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0098	0.0528	0.0606
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0087	0.0335	0.0496
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0087	0.0335	0.5
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0123	0.1012	0.5892
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0224	0.2895	0.2805
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0145	0.1414	0.9028
Echinococcus granulosus	serine protein kinase ATM	0.0105	0.0674	0.0555
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.1414	0.1942
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0429	0.6757	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0123	0.1012	0.2779
Trypanosoma cruzi	target of rapamycin kinase 3	0.0123	0.1012	0.1498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0393	0.6082	0.8983
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0429	0.6757	1
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0087	0.0335	0.5
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0087	0.0335	0.0496
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0087	0.0335	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0429	0.6757	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0173	0.194	0.2736
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0151	0.1538	0.143
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0123	0.1012	0.1336
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0267	0.3708	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0224	0.2895	0.4285
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0224	0.2895	0.2805
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0123	0.1012	0.5892
Entamoeba histolytica	hypothetical protein	0.0365	0.5553	0.8185
Trypanosoma cruzi	hypothetical protein, conserved	0.0181	0.2097	0.3103
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Loa Loa (eye worm)	hypothetical protein	0.018	0.207	0.2353
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0151	0.1538	0.213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1012	0.1336
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.025	0.3383	0.4913
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0429	0.6757	1
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0087	0.0335	0.0608
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0123	0.1012	0.2779
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0098	0.0528	0.0606
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0105	0.0674	0.0555

Activities

Activity type	Activity value	Assay description	Source	Reference
EC20 (functional)	> 100 uM	Compound was tested in vitro for positive chronotropic action.	ChEMBL.	9379444
EC50 (functional)	= 22 uM	Tested in vitro for tracheal relaxation	ChEMBL.	9379444
IC50 (binding)	> 100 uM	Inhibitory activity against PDE1 from cerebral cortex	ChEMBL.	9379444
IC50 (binding)	> 100 uM	Inhibitory activity against Phosphodiesterase 3 from heart.	ChEMBL.	9379444
IC50 (binding)	> 100 uM	Inhibitory activity against Phosphodiesterase 4 from heart.	ChEMBL.	9379444
IC50 (binding)	> 100 uM	Inhibitory activity against PDE1 from cerebral cortex	ChEMBL.	9379444
IC50 (binding)	> 100 uM	Inhibitory activity against Phosphodiesterase 3 from heart.	ChEMBL.	9379444
IC50 (binding)	> 100 uM	Inhibitory activity against Phosphodiesterase 4 from heart.	ChEMBL.	9379444

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

ChEMBL: CHEMBL111071
PubChem: 10704792

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 181786