Detailed information for compound 208325

Basic information

Technical information
  • TDR Targets ID: 208325
  • Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl ]-4-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan -2-yl]-2-oxopyrimidin-4-yl]disulfanylpyrimidi n-2-one
  • MW: 518.518 | Formula: C18H22N4O10S2
  • H donors: 6 H acceptors: 8 LogP: -3.06 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 3
  • SMILES: OCC1OC(C(C1O)O)n1ccc(nc1=O)SSc1ccn(c(=O)n1)C1OC(C(C1O)O)CO
  • InChi: 1S/C18H22N4O10S2/c23-5-7-11(25)13(27)15(31-7)21-3-1-9(19-17(21)29)33-34-10-2-4-22(18(30)20-10)16-14(28)12(26)8(6-24)32-16/h1-4,7-8,11-16,23-28H,5-6H2
  • InChiKey: VHZIYNIJLMJAKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-[1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]disulfanyl-pyrimidin-2-one
  • 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-[[1-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-oxo-4-pyrimidinyl]disulfanyl]-2-pyrimidinone
  • 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-pyrimidin-4-yl]disulfanyl-pyrimidin-2-one
  • 1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-4-[1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-2-keto-pyrimidin-4-yl]disulfanyl-pyrimidin-2-one
  • 4,4'-Dithiobis(1-.beta.-D-ribofuranosyl-2(1H-pyrimidinone))
  • NSC677475

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 0.0337 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0098 0.2533 0.2459
Plasmodium falciparum aldehyde reductase, putative 0.0098 0.2533 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0337 1 1
Schistosoma mansoni ap endonuclease 0.002 0.0098 0.0098
Trypanosoma brucei aldo-keto reductase, putative 0.0337 1 1
Loa Loa (eye worm) oxidoreductase 0.0337 1 1
Mycobacterium ulcerans oxidoreductase 0.0337 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0098 0.2533 0.2459
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.032 0.9464 0.9464
Loa Loa (eye worm) hypothetical protein 0.0337 1 1
Leishmania major aldo-keto reductase-like protein 0.0337 1 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.1348 0.1348
Mycobacterium tuberculosis Probable oxidoreductase 0.0337 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2438 0.2438
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0098 0.0098
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0098 0.2533 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.1348 0.1348
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0686 0.0593
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0337 1 1
Giardia lamblia Aldose reductase 0.0337 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.1348 0.1348
Brugia malayi Importin beta-1 subunit 0.003 0.0423 0.0423
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0423 0.0328
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0337 1 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0177 0.0321
Onchocerca volvulus 0.0337 1 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.0686 0.0686
Schistosoma mansoni aldo-keto reductase 0.0337 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.1348 0.1262
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0177 0.0177
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0686 0.0593
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0337 1 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0686 0.0593
Entamoeba histolytica alcohol dehydrogenase, putative 0.0098 0.2533 0.2459
Onchocerca volvulus 0.0337 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.2438 0.2438
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0337 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0098 0.2533 0.2459
Trichomonas vaginalis aldo/keto reductase, putative 0.0337 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0098 0.2533 0.2459
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1104 0.1104
Loa Loa (eye worm) inositol-1 0.0038 0.0686 0.0686
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0098 0.2533 1
Entamoeba histolytica aldose reductase, putative 0.0337 1 1
Onchocerca volvulus 0.0337 1 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0686 0.0593
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0247 0.015
Echinococcus granulosus aldo keto reductase 0.0337 1 1
Brugia malayi follicle stimulating hormone receptor 0.0241 0.6994 0.6994
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2438 0.2438
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0686 1
Echinococcus multilocularis aldo keto reductase 0.0337 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1104 0.1104
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0247 0.015
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0177 0.0079
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0686 0.0593
Leishmania major GTP-binding protein, putative 0.0022 0.0177 0.0079
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0177 0.0079
Entamoeba histolytica Ran family GTPase 0.0022 0.0177 0.0079
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0337 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0098 0.2533 0.2533
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0337 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0177 0.0079
Mycobacterium leprae Conserved hypothetical protein 0.0239 0.6955 0.6775
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0686 0.0593
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0098 0.2533 0.2533
Mycobacterium leprae Possible oxidoreductase 0.0098 0.2533 0.209
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.2533 0.2459
Plasmodium vivax aldehyde reductase, putative 0.0098 0.2533 1
Schistosoma mansoni aldo-keto reductase 0.0337 1 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.1223 0.1223
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0241 0.6994 0.6994
Echinococcus granulosus hypothetical protein 0.0337 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0337 1 1
Loa Loa (eye worm) oxidoreductase 0.0337 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0337 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1
Toxoplasma gondii aldo-keto reductase 0.0098 0.2533 0.2459
Mycobacterium tuberculosis Conserved protein 0.0098 0.2533 0.2459
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0423 0.0328
Loa Loa (eye worm) hypothetical protein 0.0035 0.0593 0.0593
Leishmania major prostaglandin f synthase, putative 0.0337 1 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0177 0.0177
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2438 0.2438
Echinococcus granulosus snurportin 1 0.032 0.9464 0.9464
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0337 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0423 0.0328
Trichomonas vaginalis ran, putative 0.0022 0.0177 0.0079
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.1348 0.1348
Echinococcus multilocularis aldo keto reductase 0.0337 1 1
Brugia malayi Inositol-1 0.0038 0.0686 0.0686
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0337 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0686 0.0593
Trichomonas vaginalis aldo/keto reductase, putative 0.0337 1 1
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0686 0.0686
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0337 1 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0177 0.0321
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0177 0.0177
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2438 0.2438
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0686 0.0593
Echinococcus multilocularis voltage gated potassium channel subunit 0.0098 0.2533 0.2533
Schistosoma mansoni pol-related 0.0337 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0337 1 1
Entamoeba histolytica aldose reductase, putative 0.0337 1 1
Schistosoma mansoni importin beta-1 0.003 0.0423 0.0423
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0098 0.2533 0.2459
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0337 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.1348 0.1262
Trypanosoma cruzi aldo-keto reductase 0.0337 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0098 0.0098
Entamoeba histolytica hypothetical protein 0.0024 0.0247 0.015
Onchocerca volvulus 0.0337 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0098 0.0098
Brugia malayi NADH-dependent xylose reductase 0.0098 0.2533 0.2533
Trichomonas vaginalis aldo-keto reductase, putative 0.0098 0.2533 0.2459
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.2438 0.2438
Loa Loa (eye worm) hypothetical protein 0.003 0.0423 0.0423
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0098 0.2533 0.2459
Loa Loa (eye worm) oxidoreductase 0.0337 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0337 1 1
Echinococcus multilocularis aldehyde reductase 0.0239 0.6955 0.6955
Giardia lamblia Aldose reductase 0.0337 1 1
Echinococcus multilocularis aldo keto reductase 0.0337 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0337 1 1
Brugia malayi RNA, U transporter 1 0.0085 0.2146 0.2146
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0337 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2438 0.2438
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0337 1 1
Plasmodium falciparum importin beta, putative 0.003 0.0423 0.1334
Schistosoma mansoni ap endonuclease 0.002 0.0098 0.0098
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2438 0.2438
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0337 1 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.056 0.0467
Schistosoma mansoni hypothetical protein 0.0035 0.0593 0.0593
Loa Loa (eye worm) oxidoreductase 0.0337 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0337 1 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.0686 0.0686
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0337 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0337 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0098 0.2533 0.2459
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0177 0.0079
Schistosoma mansoni hypothetical protein 0.032 0.9464 0.9464
Mycobacterium ulcerans hypothetical protein 0.0098 0.2533 0.2459
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1104 0.1104
Entamoeba histolytica aldose reductase, putative 0.0337 1 1
Toxoplasma gondii aldose reductase, putative 0.0337 1 1
Echinococcus multilocularis snurportin 1 0.032 0.9464 0.9464
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.006 0.1348 0.1262
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0337 1 1
Schistosoma mansoni potassium channel beta 0.0098 0.2533 0.2533
Echinococcus multilocularis importin subunit beta 1 0.003 0.0423 0.0423
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0247 0.015
Schistosoma mansoni ran 0.0022 0.0177 0.0177
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0337 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0177 0.0079
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0686 0.0686
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0337 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0247 0.015
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2438 0.2438
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0337 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0098 0.2533 0.2533
Trichomonas vaginalis aldo-keto reductase, putative 0.0098 0.2533 0.2459
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0337 1 1
Trypanosoma brucei prostaglandin f synthase 0.0337 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0098 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1104 0.1104
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0593 0.0593
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0177 0.0177
Onchocerca volvulus 0.0337 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0337 1 1
Echinococcus granulosus importin subunit beta 1 0.003 0.0423 0.0423
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.006 0.1348 0.1262
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0337 1 1
Echinococcus granulosus aldehyde reductase 0.0239 0.6955 0.6955
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0098 0.0098
Echinococcus granulosus voltage gated potassium channel subunit 0.0098 0.2533 0.2533
Onchocerca volvulus 0.0337 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1
Echinococcus granulosus aldo keto reductase 0.0337 1 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0686 0.0593
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0686 0.0593
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0337 1 1
Echinococcus multilocularis aldo keto reductase 0.0337 1 1
Leishmania major importin beta-1 subunit, putative 0.0024 0.0247 0.015
Trypanosoma cruzi aldo/keto reductase, putative 0.0337 1 1
Plasmodium vivax importin-beta 2, putative 0.003 0.0423 0.1334
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0098 0.2533 0.2459
Schistosoma mansoni ran 0.0022 0.0177 0.0177
Echinococcus granulosus aldo keto reductase 0.0337 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0337 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Inhibition of HIV-1 replication in human T-cell by using XTT assay; Inactive ChEMBL. 8809151
IC50 (functional) = 2.6 Inhibition of HIV-1 replication in a proliferating human T-cell line assayed using an XTT assay. ChEMBL. 8809151

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

1 literature reference was collected for this gene.

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