TDR Targets

Basic information

Technical information

TDR Targets ID: 791470
Name: methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpuri no[8,7-b]imidazol-6-yl)acetate
MW: 367.359 | Formula: C18H17N5O4
H donors: 0 H acceptors: 4 LogP: 2.16 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)Cn1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1
InChi: 1S/C18H17N5O4/c1-20-15-14(16(25)21(2)18(20)26)23-9-12(11-7-5-4-6-8-11)22(17(23)19-15)10-13(24)27-3/h4-9H,10H2,1-3H3
InChiKey: VFCLIVXQIASAHS-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

methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenyl-purino[8,7-b]imidazol-6-yl)acetate
2-(2,4-dimethyl-1,3-dioxo-7-phenyl-6-purino[8,7-b]imidazolyl)acetic acid methyl ester
2-(1,3-diketo-2,4-dimethyl-7-phenyl-purino[8,7-b]imidazol-6-yl)acetic acid methyl ester
methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenyl-purino[8,7-b]imidazol-6-yl)ethanoate
ZINC01430317
A3730/0158085
BAS 13030684

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
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0105	0.3489	0.3195
Loa Loa (eye worm)	heat shock protein 90	0.0045	0.0718	0.0773
Brugia malayi	heat shock protein 90	0.0045	0.0718	0.0773
Trypanosoma brucei	heat shock protein, putative	0.0045	0.0718	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0045	0.0718	1
Onchocerca volvulus	Huntingtin homolog	0.012	0.4166	0.4476
Trypanosoma brucei	heat shock protein, putative	0.0045	0.0718	1
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Trypanosoma brucei	heat shock protein, putative	0.0045	0.0718	1
Plasmodium vivax	heat shock protein, putative	0.017	0.6466	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0105	0.3489	0.3195
Trichomonas vaginalis	set domain proteins, putative	0.0231	0.9309	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0433	0.0466
Echinococcus multilocularis	endoplasmin	0.0042	0.0591	0.0637
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0433	0.5879
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0126	0.4447	1
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.8016	0.8628
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0094	0.3004	0.2688
Entamoeba histolytica	hypothetical protein	0.0035	0.0263	0.3419
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0433	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0178	0.0192
Plasmodium falciparum	heat shock protein 90	0.0045	0.0718	0.0895
Echinococcus multilocularis	heat shock protein 90	0.0038	0.042	0.0453
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0042	0.0589	0.0634
Echinococcus granulosus	heat shock protein	0.0045	0.0718	0.0773
Brugia malayi	Endoplasmin precursor	0.0045	0.0718	0.0773
Plasmodium falciparum	glutathione reductase	0.0041	0.0563	0.065
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0433	0.0466
Plasmodium vivax	heat shock protein 86, putative	0.0045	0.0718	0.111
Brugia malayi	beta-lactamase	0.0039	0.0433	0.0466
Trypanosoma brucei	heat shock protein, putative	0.0045	0.0718	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0433	0.0306
Schistosoma mansoni	endoplasmin	0.0045	0.0718	0.1155
Entamoeba histolytica	heat shock protein 90, putative	0.0045	0.0718	1
Onchocerca volvulus	Huntingtin homolog	0.012	0.4166	0.4476
Plasmodium vivax	glutathione reductase, putative	0.0041	0.0563	0.0871
Mycobacterium ulcerans	heat shock protein 90	0.0042	0.0591	0.0395
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0126	0.4447	0.4786
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Trypanosoma cruzi	heat shock protein 85, putative	0.0045	0.0718	1
Loa Loa (eye worm)	endoplasmin	0.0045	0.0718	0.0773
Onchocerca volvulus		0.0039	0.0433	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0882	0.0949
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0433	0.0306
Plasmodium vivax	heat shock protein 90, putative	0.003	0.0026	0.0041
Mycobacterium tuberculosis	Probable reductase	0.0094	0.3004	0.2688
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0882	0.0949
Schistosoma mansoni	tar DNA-binding protein	0.013	0.463	0.7445
Brugia malayi	Pre-SET motif family protein	0.0203	0.8016	0.8628
Brugia malayi	hypothetical protein	0.0231	0.9291	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0882	0.0949
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0433	0.0466
Trypanosoma brucei	heat shock protein, putative	0.0045	0.0718	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0094	0.3004	0.8413
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0433	0.0466
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0263	0.0423
Brugia malayi	Thioredoxin reductase	0.0041	0.0563	0.0606
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0105	0.3489	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0433	0.0466
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Toxoplasma gondii	thioredoxin reductase	0.0041	0.0563	0.0871
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Echinococcus multilocularis	geminin	0.0164	0.6218	0.6693
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0263	0.0283
Brugia malayi	RNA recognition motif domain containing protein	0.013	0.463	0.4983
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0433	0.0306
Entamoeba histolytica	heat shock protein 90, putative	0.0045	0.0718	1
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0433	0.0466
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.013	0.463	0.4983
Echinococcus multilocularis	tar DNA binding protein	0.013	0.463	0.4983
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0433	0.0466
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0094	0.3004	0.2688
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0105	0.3489	0.3195
Trichomonas vaginalis	heat shock protein, putative	0.0042	0.0591	0.0479
Trypanosoma cruzi	heat shock protein 85, putative	0.0045	0.0718	1
Schistosoma mansoni	tar DNA-binding protein	0.013	0.463	0.7445
Trypanosoma brucei	heat shock protein 90, putative	0.0045	0.0718	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0042	0.0589	0.0634
Brugia malayi	beta-lactamase family protein	0.0039	0.0433	0.0466
Schistosoma mansoni	hypothetical protein	0.0164	0.6218	1
Loa Loa (eye worm)	heat shock protein 75	0.003	0.0026	0.0029
Plasmodium falciparum	thioredoxin reductase	0.0041	0.0563	0.065
Trypanosoma brucei	heat shock protein, putative	0.0045	0.0718	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0126	0.4447	1
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0827	0.1329
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Plasmodium falciparum	heat shock protein 90, putative	0.017	0.6466	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0263	0.0283
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Trypanosoma brucei	heat shock protein, putative	0.0045	0.0718	1
Echinococcus granulosus	tar DNA binding protein	0.013	0.463	0.4983
Entamoeba histolytica	hypothetical protein	0.0035	0.0263	0.3419
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Trypanosoma cruzi	heat shock protein 85, putative	0.0038	0.042	0.5696
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Toxoplasma gondii	aldehyde dehydrogenase	0.0126	0.4447	0.6877
Trichomonas vaginalis	heat shock protein, putative	0.0038	0.042	0.0292
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Plasmodium vivax	endoplasmin, putative	0.0045	0.0718	0.111
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0433	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0433	0.0466
Toxoplasma gondii	heat shock protein 75, putative	0.003	0.0026	0.0041
Trypanosoma cruzi	trypanothione reductase, putative	0.0041	0.0563	0.7761
Plasmodium vivax	thioredoxin reductase, putative	0.0041	0.0563	0.0871
Loa Loa (eye worm)	thioredoxin reductase	0.0041	0.0563	0.0606
Schistosoma mansoni	hypothetical protein	0.0047	0.0827	0.1329
Schistosoma mansoni	heat shock protein	0.0045	0.0718	0.1155
Trypanosoma brucei	heat shock protein 90, putative	0.0045	0.0718	1
Leishmania major	hypothetical protein, conserved	0.0039	0.0433	0.092
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0126	0.4447	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0041	0.0563	0.0136
Brugia malayi	hypothetical protein	0.012	0.4166	0.4485
Brugia malayi	hypothetical protein	0.0035	0.0263	0.0283
Giardia lamblia	Grp94/Hsp90	0.0042	0.0591	0.5748
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.003	0.0026	0.0029
Schistosoma mansoni	tar DNA-binding protein	0.013	0.463	0.7445
Leishmania major	trypanothione reductase	0.0041	0.0563	0.1214
Treponema pallidum	heat shock protein 90	0.0042	0.0591	0.5
Trypanosoma cruzi	Heat shock protein 83, putative	0.0045	0.0718	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0094	0.3004	0.2688
Entamoeba histolytica	hypothetical protein	0.0035	0.0263	0.3419
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Trypanosoma brucei	trypanothione reductase	0.0041	0.0563	0.7761
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0042	0.0591	0.5
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Onchocerca volvulus		0.0231	0.9309	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0126	0.4447	0.4195
Brugia malayi	RNA binding protein	0.013	0.463	0.4983
Loa Loa (eye worm)	TAR-binding protein	0.013	0.463	0.4983
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.003	0.0026	0.0029
Loa Loa (eye worm)	RNA binding protein	0.013	0.463	0.4983
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0433	0.0696
Schistosoma mansoni	tar DNA-binding protein	0.013	0.463	0.7445
Toxoplasma gondii	Hsp90 domain-containing protein	0.017	0.6466	1
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Toxoplasma gondii	ABC1 family protein	0.0039	0.0433	0.067
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.003	0.0026	0.0028
Trypanosoma brucei	heat shock protein, putative	0.0045	0.0718	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0263	0.3419
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0433	0.0466
Echinococcus granulosus	geminin	0.0164	0.6218	0.6693
Mycobacterium tuberculosis	Probable dehydrogenase	0.0094	0.3004	0.2688
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0094	0.3004	0.2688
Echinococcus multilocularis	heat shock protein 90	0.0045	0.0718	0.0773
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.9291	1
Toxoplasma gondii	heat shock protein 90, putative	0.0045	0.0718	0.111
Brugia malayi	Hsp90 protein	0.003	0.0026	0.0029
Brugia malayi	glutathione reductase	0.0041	0.0563	0.0606
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Echinococcus multilocularis	heat shock protein	0.0045	0.0718	0.0773
Trypanosoma cruzi	heat shock protein 90, putative	0.0045	0.0718	1
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0433	0.5879
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0178	0.0192
Brugia malayi	beta-lactamase family protein	0.0039	0.0433	0.0466
Onchocerca volvulus		0.0039	0.0433	0.0465
Schistosoma mansoni	hypothetical protein	0.0033	0.0178	0.0287
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0126	0.4447	1
Leishmania major	heat shock protein 83-1	0.0045	0.0718	0.1565
Schistosoma mansoni	tar DNA-binding protein	0.013	0.463	0.7445
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0126	0.4447	0.4786
Loa Loa (eye worm)	hypothetical protein	0.0231	0.9291	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0433	0.0696
Schistosoma mansoni	aldehyde dehydrogenase	0.0126	0.4447	0.7151
Schistosoma mansoni	hypothetical protein	0.0164	0.6218	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.4166	0.4485
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0042	0.0591	0.0518
Schistosoma mansoni	heat shock protein	0.003	0.0026	0.0043
Trichomonas vaginalis	heat shock protein, putative	0.0045	0.0718	0.0617
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0827	0.089
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0045	0.0718	1
Echinococcus granulosus	heat shock protein 90	0.0045	0.0718	0.0773
Trichomonas vaginalis	heat shock protein, putative	0.0042	0.0591	0.0479
Onchocerca volvulus		0.0047	0.0827	0.0888
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0042	0.0591	0.1278
Echinococcus granulosus	endoplasmin	0.0042	0.0591	0.0637
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0042	0.0591	0.0166
Onchocerca volvulus		0.0039	0.0433	0.0465
Schistosoma mansoni	aldehyde dehydrogenase	0.0126	0.4447	0.7151
Loa Loa (eye worm)	hypothetical protein	0.012	0.4166	0.4485
Schistosoma mansoni	hypothetical protein	0.0035	0.0263	0.0423
Brugia malayi	TAR-binding protein	0.013	0.463	0.4983
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0433	0.0466
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0038	0.042	0.0453
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0433	0.5879
Trypanosoma cruzi	heat shock protein 90, putative	0.0038	0.042	0.5696
Trypanosoma cruzi	heat shock protein 85, putative	0.0045	0.0718	1
Toxoplasma gondii	heat shock protein HSP90	0.0045	0.0718	0.111
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0882	0.0949
Schistosoma mansoni	heat shock protein	0.0045	0.0718	0.1155
Loa Loa (eye worm)	glutathione reductase	0.0041	0.0563	0.0606
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.9291	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0433	0.0306
Echinococcus granulosus	heat shock protein 90	0.0038	0.042	0.0453
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0433	0.067
Schistosoma mansoni	endoplasmin	0.0045	0.0718	0.1155
Trichomonas vaginalis	esterase, putative	0.0039	0.0433	0.0306

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 791470