TDR Targets

Basic information

Technical information

TDR Targets ID: 708787
Name: 9-(4-butylphenyl)-1-methyl-7,8-dihydro-6H-pur ino[8,7-b]pyrimidine-2,4-dione
MW: 353.418 | Formula: C19H23N5O2
H donors: 1 H acceptors: 3 LogP: 3.34 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCCCc1ccc(cc1)N1CCCn2c1nc1c2c(=O)[nH]c(=O)n1C
InChi: 1S/C19H23N5O2/c1-3-4-6-13-7-9-14(10-8-13)23-11-5-12-24-15-16(20-18(23)24)22(2)19(26)21-17(15)25/h7-10H,3-6,11-12H2,1-2H3,(H,21,25,26)
InChiKey: NIORYHYSEBSMDV-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

9-(4-butylphenyl)-1-methyl-7,8-dihydro-6H-purino[8,7-b]pyrimidine-2,4-quinone
STOCK5S-51723
ZINC02339707

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
Echinococcus granulosus	geminin	0.0166	0.2097	0.2097
Schistosoma mansoni	transcription factor LCR-F1	0.036	0.51	0.51
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0206	0.0206
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0548	0.1675
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0095	0.0981	0.3142
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0981	0.1921
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0106
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0071	0.0609	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0609	0.1192
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.1829	0.1829
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0244	0.0244
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0054	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0054	0.5
Schistosoma mansoni	hypothetical protein	0.0129	0.1513	0.1513
Brugia malayi	AMP-binding enzyme family protein	0.0095	0.0981	0.1921
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0206	0.0206
Brugia malayi	MH2 domain containing protein	0.036	0.5108	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0244	0.0244
Echinococcus multilocularis	survival motor neuron protein 1	0.0232	0.3121	0.3121
Onchocerca volvulus		0.0095	0.0981	0.9473
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0981	0.1921
Brugia malayi	beta-lactamase family protein	0.0035	0.0054	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0981	0.1921
Loa Loa (eye worm)	hypothetical protein	0.0232	0.3121	0.611
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0054	0.0106
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0054	0.5
Echinococcus multilocularis	tumor protein p63	0.067	0.9933	0.9933
Loa Loa (eye worm)	hypothetical protein	0.01	0.1065	0.2086
Schistosoma mansoni	hypothetical protein	0.0166	0.2097	0.2097
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0609	0.1192
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0095	0.0981	0.3142
Onchocerca volvulus		0.0098	0.1033	1
Entamoeba histolytica	hypothetical protein	0.036	0.51	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0129	0.1513	0.1513
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0149	0.1829	0.1829
Schistosoma mansoni	hypothetical protein	0.0068	0.0572	0.0572
Echinococcus multilocularis	microtubule associated protein 2	0.0675	1	1
Entamoeba histolytica	hypothetical protein	0.036	0.51	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0106
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0206	0.0403
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0054	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0054	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0106
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.1065	0.2086
Mycobacterium ulcerans	acyl-CoA synthetase	0.0095	0.0981	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0206	0.0403
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0206	0.0206
Trichomonas vaginalis	esterase, putative	0.0035	0.0054	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0609	0.1192
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0095	0.0981	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.036	0.51	0.51
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.1829	0.1829
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0106
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.1065	0.2086
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.1065	0.2086
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0106
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0609	0.1192
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0095	0.0981	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0244	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1033	0.2022
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0054	0.0054
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0548	0.1675
Leishmania major	4-coumarate:coa ligase-like protein	0.0095	0.0981	1
Brugia malayi	follicle stimulating hormone receptor	0.0231	0.3099	0.6066
Schistosoma mansoni	microtubule-associated protein tau	0.0675	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0054	0.0054
Leishmania major	4-coumarate:coa ligase-like protein	0.0095	0.0981	1
Brugia malayi	hypothetical protein	0.036	0.51	0.9984
Brugia malayi	AMP-binding enzyme family protein	0.0095	0.0981	0.1921
Onchocerca volvulus		0.0047	0.0244	0.1938
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0071	0.0609	0.5979
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0548	0.1675
Leishmania major	4-coumarate:coa ligase-like protein	0.0095	0.0981	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0106
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0054	0.0106
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0095	0.0981	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0548	0.1675
Schistosoma mansoni	hypothetical protein	0.036	0.51	0.51
Plasmodium vivax	acyl-CoA synthetase, putative	0.0071	0.0609	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0054	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0572	0.112
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0231	0.3099	0.6066
Brugia malayi	beta-lactamase family protein	0.0035	0.0054	0.0106
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0054	0.5
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0129	0.1513	0.1513
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0206	0.0206
Brugia malayi	beta-lactamase	0.0035	0.0054	0.0106
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0095	0.0981	1
Echinococcus multilocularis	geminin	0.0166	0.2097	0.2097
Echinococcus granulosus	survival motor neuron protein 1	0.0232	0.3121	0.3121
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0206	0.0206
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0054	0.0054
Brugia malayi	AMP-binding enzyme family protein	0.0095	0.0981	0.1921
Entamoeba histolytica	hypothetical protein	0.036	0.51	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0071	0.0609	0.1879
Schistosoma mansoni	cellular tumor antigen P53	0.0098	0.1033	0.1033
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.036	0.51	0.51
Plasmodium falciparum	acyl-CoA synthetase	0.0071	0.0609	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0206	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0609	0.1192
Mycobacterium ulcerans	hypothetical protein	0.0095	0.0981	1
Schistosoma mansoni	hypothetical protein	0.0166	0.2097	0.2097
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.3005	1
Echinococcus granulosus	tumor protein p63	0.067	0.9933	0.9933
Brugia malayi	hypothetical protein	0.0232	0.3121	0.611
Loa Loa (eye worm)	transcription factor SMAD2	0.036	0.5108	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0095	0.0981	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0572	0.112
Toxoplasma gondii	ABC1 family protein	0.0035	0.0054	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0054	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0054	0.5
Entamoeba histolytica	hypothetical protein	0.036	0.51	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0095	0.0981	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0206	0.0206
Loa Loa (eye worm)	MH2 domain-containing protein	0.036	0.5108	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0095	0.0981	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0095	0.0981	1

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 708787