Detailed information for compound 627963
Basic information
Technical information
- TDR Targets ID: 627963
- Name: 4-(2-methoxyethylsulfanyl)-2-(3-methoxyphenyl )-6,8-dimethylpyrimido[5,6-e]pyrimidine-5,7-d ione
- MW: 388.441 | Formula: C18H20N4O4S
-
H donors: 0
H acceptors: 4
LogP: 1.75
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: COCCSc1nc(nc2c1c(=O)n(c(=O)n2C)C)c1cccc(c1)OC
- InChi: 1S/C18H20N4O4S/c1-21-15-13(17(23)22(2)18(21)24)16(27-9-8-25-3)20-14(19-15)11-6-5-7-12(10-11)26-4/h5-7,10H,8-9H2,1-4H3
- InChiKey: QQVJENSENQSDHA-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 4-(2-methoxyethylsulfanyl)-2-(3-methoxyphenyl)-6,8-dimethyl-pyrimido[5,6-e]pyrimidine-5,7-dione
- 4-(2-methoxyethylthio)-2-(3-methoxyphenyl)-6,8-dimethylpyrimido[5,6-e]pyrimidine-5,7-dione
- 4-(2-methoxyethylthio)-2-(3-methoxyphenyl)-6,8-dimethyl-pyrimido[5,6-e]pyrimidine-5,7-quinone
- ZINC04341364
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
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | oxidoreductase | 0.0403 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.013 | 0.2702 | 0.2702 |
| Loa Loa (eye worm) | oxidoreductase | 0.0403 | 1 | 1 |
| Brugia malayi | NADH-dependent xylose reductase | 0.0403 | 1 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0403 | 1 | 1 |
| Entamoeba histolytica | alcohol dehydrogenase, putative | 0.0403 | 1 | 0.5 |
| Loa Loa (eye worm) | TAR-binding protein | 0.013 | 0.2702 | 0.2702 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0044 | 0.0407 | 0.0407 |
| Schistosoma mansoni | tar DNA-binding protein | 0.013 | 0.2702 | 0.2702 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.013 | 0.2702 | 0.2702 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0403 | 1 | 0.5 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0403 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0032 | 0.008 | 0.008 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Loa Loa (eye worm) | RNA binding protein | 0.013 | 0.2702 | 0.2702 |
| Trichomonas vaginalis | alcohol dehydrogenase, putative | 0.0403 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0403 | 1 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0403 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Trypanosoma brucei | prostaglandin f synthase | 0.0403 | 1 | 1 |
| Loa Loa (eye worm) | glutamate-cysteine ligase modifier subunit | 0.0403 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Echinococcus multilocularis | diuretic hormone 44 receptor GPRdih2 | 0.0032 | 0.008 | 0.008 |
| Echinococcus multilocularis | voltage gated potassium channel subunit | 0.0403 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.013 | 0.2702 | 0.2702 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0403 | 1 | 0.5 |
| Echinococcus granulosus | diuretic hormone 44 receptor GPRdih2 | 0.0032 | 0.008 | 0.008 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Plasmodium vivax | aldehyde reductase, putative | 0.0403 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Trypanosoma cruzi | aldo/keto reductase, putative | 0.0403 | 1 | 0.5 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0044 | 0.0407 | 0.0407 |
| Onchocerca volvulus | 0.0403 | 1 | 0.5 | |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.0032 | 0.008 | 0.008 |
| Echinococcus granulosus | aldo keto reductase | 0.0403 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0403 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0403 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0032 | 0.008 | 0.008 |
| Schistosoma mansoni | pol-related | 0.0403 | 1 | 1 |
| Entamoeba histolytica | aldose reductase, putative | 0.0403 | 1 | 0.5 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0403 | 1 | 0.5 |
| Echinococcus granulosus | GPCR family 2 | 0.0032 | 0.008 | 0.008 |
| Echinococcus granulosus | cadherin EGF LAG seven pass G type receptor | 0.0032 | 0.008 | 0.008 |
| Giardia lamblia | Aldose reductase | 0.0403 | 1 | 0.5 |
| Plasmodium falciparum | aldehyde reductase, putative | 0.0403 | 1 | 1 |
| Echinococcus granulosus | geminin | 0.035 | 0.8591 | 0.8591 |
| Leishmania major | aldehyde reductase, putative,oxidoreductase, putative | 0.0403 | 1 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.013 | 0.2702 | 0.2702 |
| Toxoplasma gondii | aldo/keto reductase family oxidoreductase | 0.0403 | 1 | 1 |
| Giardia lamblia | Aldose reductase | 0.0403 | 1 | 0.5 |
| Echinococcus multilocularis | cadherin EGF LAG seven pass G type receptor | 0.0032 | 0.008 | 0.008 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0101 | 0.1928 | 0.1928 |
| Echinococcus multilocularis | aldo keto reductase | 0.0403 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0403 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.013 | 0.2702 | 0.2702 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0403 | 1 | 1 |
| Echinococcus granulosus | snurportin 1 | 0.0309 | 0.7499 | 0.7499 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase | 0.0403 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0403 | 1 | 1 |
| Onchocerca volvulus | 0.0403 | 1 | 0.5 | |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0101 | 0.1928 | 0.1928 |
| Echinococcus multilocularis | tar DNA binding protein | 0.013 | 0.2702 | 0.2702 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0044 | 0.0407 | 0.0407 |
| Schistosoma mansoni | hypothetical protein | 0.035 | 0.8591 | 0.8591 |
| Loa Loa (eye worm) | nucleolar RNA-associated protein alpha | 0.0309 | 0.7499 | 0.7499 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Toxoplasma gondii | aldo-keto reductase | 0.0403 | 1 | 1 |
| Toxoplasma gondii | aldose reductase, putative | 0.0403 | 1 | 1 |
| Echinococcus granulosus | voltage gated potassium channel subunit | 0.0403 | 1 | 1 |
| Entamoeba histolytica | alcohol dehydrogenase, putative | 0.0403 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0069 | 0.1073 | 0.1073 |
| Loa Loa (eye worm) | hypothetical protein | 0.0101 | 0.1928 | 0.1928 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0101 | 0.1928 | 0.1928 |
| Mycobacterium ulcerans | hypothetical protein | 0.0403 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0403 | 1 | 1 |
| Trypanosoma cruzi | aldo-keto reductase | 0.0403 | 1 | 0.5 |
| Echinococcus multilocularis | geminin | 0.035 | 0.8591 | 0.8591 |
| Echinococcus multilocularis | snurportin 1 | 0.0309 | 0.7499 | 0.7499 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0044 | 0.0407 | 0.0407 |
| Echinococcus multilocularis | GPCR, family 2 | 0.0032 | 0.008 | 0.008 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0403 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0309 | 0.7499 | 0.7499 |
| Entamoeba histolytica | aldose reductase, putative | 0.0403 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase | 0.0403 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0403 | 1 | 1 |
| Onchocerca volvulus | 0.0403 | 1 | 0.5 | |
| Onchocerca volvulus | 0.0403 | 1 | 0.5 | |
| Trypanosoma brucei | aldo-keto reductase, putative | 0.0403 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0403 | 1 | 1 |
| Brugia malayi | RNA binding protein | 0.013 | 0.2702 | 0.2702 |
| Mycobacterium leprae | Possible oxidoreductase | 0.0403 | 1 | 0.5 |
| Echinococcus granulosus | hypothetical protein | 0.0403 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Brugia malayi | RNA, U transporter 1 | 0.0082 | 0.1429 | 0.1429 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.008 | 0.008 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0403 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0403 | 1 | 1 |
| Onchocerca volvulus | 0.0403 | 1 | 0.5 | |
| Schistosoma mansoni | aldo-keto reductase | 0.0403 | 1 | 1 |
| Brugia malayi | Latrophilin receptor protein 2 | 0.0032 | 0.008 | 0.008 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0403 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Leishmania major | prostaglandin f synthase, putative | 0.0403 | 1 | 0.5 |
| Schistosoma mansoni | aldo-keto reductase | 0.0403 | 1 | 1 |
| Onchocerca volvulus | 0.0403 | 1 | 0.5 | |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0044 | 0.0407 | 0.0407 |
| Echinococcus multilocularis | aldo keto reductase | 0.0403 | 1 | 1 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0044 | 0.0407 | 0.0407 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0403 | 1 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0403 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0069 | 0.1073 | 0.1073 |
| Schistosoma mansoni | hypothetical protein | 0.035 | 0.8591 | 0.8591 |
| Loa Loa (eye worm) | oxidoreductase | 0.0403 | 1 | 1 |
| Plasmodium vivax | oxidoreductase, aldo/keto reductase domain containing protein | 0.0403 | 1 | 1 |
| Brugia malayi | TAR-binding protein | 0.013 | 0.2702 | 0.2702 |
| Toxoplasma gondii | oxidoreductase, aldo/keto reductase family protein | 0.0403 | 1 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0069 | 0.1073 | 0.1073 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0044 | 0.0407 | 0.0407 |
| Trypanosoma cruzi | aldo/keto reductase, putative | 0.0403 | 1 | 0.5 |
| Leishmania major | aldo-keto reductase-like protein | 0.0403 | 1 | 0.5 |
| Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0032 | 0.008 | 0.008 |
| Mycobacterium leprae | PROBABLE OXIDOREDUCTASE | 0.0403 | 1 | 0.5 |
| Leishmania major | aldo/keto reductase, putative,aldo/keto reductase family-like protein | 0.0403 | 1 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0403 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0044 | 0.0407 | 0.0407 |
| Echinococcus granulosus | tar DNA binding protein | 0.013 | 0.2702 | 0.2702 |
| Brugia malayi | glutamate-cysteine ligase modifier subunit | 0.0403 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved protein | 0.0403 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0403 | 1 | 0.5 |
| Leishmania major | prostaglandin f2-alpha synthase/D-arabinose dehydrogenase | 0.0403 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0403 | 1 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0403 | 1 | 1 |
| Schistosoma mansoni | potassium channel beta | 0.0403 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Plasmodium falciparum | aldo-keto reductase, putative | 0.0403 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0403 | 1 | 1 |
| Mycobacterium ulcerans | oxidoreductase | 0.0403 | 1 | 0.5 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0044 | 0.0407 | 0.0407 |
| Trypanosoma brucei | aldo/keto reductase, putative | 0.0403 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0403 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0032 | 0.008 | 0.008 |
| Schistosoma mansoni | hypothetical protein | 0.0032 | 0.008 | 0.008 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.013 | 0.2702 | 0.2702 |
| Entamoeba histolytica | aldose reductase, putative | 0.0403 | 1 | 0.5 |
| Onchocerca volvulus | 0.0403 | 1 | 0.5 |
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.
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
- Search by Saint Jude
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.