Detailed information for compound 628503

Basic information

Technical information
  • TDR Targets ID: 628503
  • Name: 2-(1,3-dimethyl-2,4-dioxo-7-propan-2-ylpyrimi do[5,4-e]pyrimidin-5-yl)sulfanyl-N-(3-methylp henyl)acetamide
  • MW: 413.493 | Formula: C20H23N5O3S
  • H donors: 1 H acceptors: 5 LogP: 2.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C)CSc1nc(nc2c1c(=O)n(C)c(=O)n2C)C(C)C
  • InChi: 1S/C20H23N5O3S/c1-11(2)16-22-17-15(19(27)25(5)20(28)24(17)4)18(23-16)29-10-14(26)21-13-8-6-7-12(3)9-13/h6-9,11H,10H2,1-5H3,(H,21,26)
  • InChiKey: PJYATAODZMUWLO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(7-isopropyl-1,3-dimethyl-2,4-dioxo-pyrimido[5,4-e]pyrimidin-5-yl)sulfanyl-N-(3-methylphenyl)acetamide
  • 2-[(7-isopropyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[5,4-e]pyrimidinyl)thio]-N-(3-methylphenyl)acetamide
  • 2-[(7-isopropyl-2,4-diketo-1,3-dimethyl-pyrimido[5,4-e]pyrimidin-5-yl)thio]-N-(3-methylphenyl)acetamide
  • 2-(1,3-dimethyl-2,4-dioxo-7-propan-2-yl-pyrimido[5,4-e]pyrimidin-5-yl)sulfanyl-N-(3-methylphenyl)ethanamide
  • ZINC04139021

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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.4646 0.7893
Schistosoma mansoni lipoxygenase 0.0104 0.3309 0.3473
Brugia malayi glutaminase DH11.1 0.0277 0.9527 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0176 0.5887 1
Plasmodium vivax multidomain scavenger receptor, putative 0.004 0.103 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.4679 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.4646 0.7893
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 1 1
Loa Loa (eye worm) doublecortin family protein 0.004 0.103 0.0593
Echinococcus multilocularis RUN 0.004 0.103 0.175
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.4646 0.4877
Giardia lamblia Fructose-bisphosphate aldolase 0.0291 1 1
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.01 0.3182 0.2975
Leishmania major udp-glc 4-epimerase, putative 0.0104 0.3328 1
Echinococcus multilocularis UDP glucose 4 epimerase 0.01 0.3182 0.5405
Brugia malayi N-terminal motif family protein 0.0178 0.5981 0.6208
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0291 1 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Brugia malayi Doublecortin family protein 0.004 0.103 0.0912
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.4646 0.7893
Schistosoma mansoni UDP-glucose 4-epimerase 0.01 0.3182 0.334
Schistosoma mansoni hypothetical protein 0.004 0.103 0.1081
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.5981 1
Echinococcus multilocularis geminin 0.0164 0.5456 0.9269
Brugia malayi hypothetical protein 0.004 0.103 0.0912
Schistosoma mansoni loxhd1 0.004 0.103 0.1081
Trichomonas vaginalis glutaminase, putative 0.0277 0.9527 0.9306
Echinococcus granulosus geminin 0.0164 0.5456 0.9269
Mycobacterium ulcerans glutaminase 0.0277 0.9527 1
Echinococcus granulosus Polycystic kidney disease protein 0.004 0.103 0.175
Trypanosoma brucei UDP-galactose 4-epimerase 0.0104 0.3328 1
Schistosoma mansoni polycystin 1-related 0.004 0.103 0.1081
Loa Loa (eye worm) hypothetical protein 0.004 0.103 0.0593
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.103 0.175
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Trypanosoma cruzi UDP-galactose 4-epimerase 0.01 0.3182 1
Schistosoma mansoni rab6-interacting 0.004 0.103 0.1081
Brugia malayi hypothetical protein 0.0025 0.0495 0.034
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0141 0.4646 0.4596
Loa Loa (eye worm) hypothetical protein 0.0178 0.5981 0.6074
Schistosoma mansoni lipoxygenase 0.0176 0.5887 0.6179
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.4646 0.7893
Echinococcus multilocularis Polycystic kidney disease protein 0.004 0.103 0.175
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.103 0.175
Loa Loa (eye worm) glutaminase 0.0277 0.9527 1
Brugia malayi hypothetical protein 0.004 0.103 0.0912
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Toxoplasma gondii UDP-glucose 4-epimerase 0.01 0.3182 1
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.01 0.3182 1
Loa Loa (eye worm) hypothetical protein 0.004 0.103 0.0593
Schistosoma mansoni hypothetical protein 0.0164 0.5456 0.5727
Schistosoma mansoni hypothetical protein 0.0164 0.5456 0.5727
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.103 0.175
Brugia malayi UDP galactose 4'-epimerase 0.01 0.3182 0.3214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.4646 0.4877
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0176 0.5887 1
Schistosoma mansoni glutaminase 0.0277 0.9527 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.4679 0.5
Echinococcus granulosus UDP glucose 4 epimerase 0.01 0.3182 0.5405
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.4646 0.4877
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0141 0.4646 0.478
Schistosoma mansoni rab6-interacting 0.004 0.103 0.1081
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.103 0.175
Echinococcus granulosus RUN 0.004 0.103 0.175
Plasmodium falciparum LCCL domain-containing protein 0.004 0.103 1
Loa Loa (eye worm) glutaminase 2 0.0277 0.9527 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

Bibliographic References

No literature references available for this target.

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