Detailed information for compound 619062

Basic information

Technical information
  • TDR Targets ID: 619062
  • Name: 2-[7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3- methyl-2,6-dioxopurin-8-yl]sulfanylacetamide
  • MW: 419.455 | Formula: C18H21N5O5S
  • H donors: 3 H acceptors: 5 LogP: 0.52 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(Cn1c(SCC(=O)N)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C
  • InChi: 1S/C18H21N5O5S/c1-10-5-3-4-6-12(10)28-8-11(24)7-23-14-15(20-18(23)29-9-13(19)25)22(2)17(27)21-16(14)26/h3-6,11,24H,7-9H2,1-2H3,(H2,19,25)(H,21,26,27)
  • InChiKey: LZGRIJNTTYMIIQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetamide
  • 2-[[7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetamide
  • 2-[[7-[2-hydroxy-3-(2-methylphenoxy)propyl]-2,6-diketo-3-methyl-purin-8-yl]thio]acetamide
  • 2-[7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylethanamide
  • Oprea1_201151
  • BAS 01122520
  • Oprea1_390924
  • STOCK1S-56086
  • EU-0072568

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
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0041 0.0255 0.0314
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0762 0.8121 1
Entamoeba histolytica hypothetical protein 0.0025 0.0078 0.0369
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0124 0.116 0.139
Entamoeba histolytica hypothetical protein 0.0041 0.0247 0.1872
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.01 0.0896 0.1062
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0124 0.116 1
Plasmodium vivax NAD-dependent deacetylase, putative 0.01 0.0896 1
Schistosoma mansoni inositol monophosphatase 0.0124 0.116 0.139
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0041 0.0255 0.0269
Loa Loa (eye worm) hypothetical protein 0.0037 0.0205 0.0208
Mycobacterium tuberculosis Transcriptional regulatory protein 0.01 0.0896 0.8754
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0111 0.1018 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0247 0.026
Mycobacterium ulcerans NAD-dependent deacetylase 0.01 0.0896 0.7645
Loa Loa (eye worm) hypothetical protein 0.0041 0.0255 0.0269
Schistosoma mansoni hypothetical protein 0.0037 0.0205 0.0208
Loa Loa (eye worm) transcriptional regulator 0.01 0.0896 0.1062
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.01 0.0896 0.7645
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0053 0.0185
Trypanosoma brucei Silent information regulator 2 related protein 1 0.01 0.0896 0.7645
Brugia malayi Inositol-1 0.0124 0.116 0.1429
Leishmania major GTP-binding protein, putative 0.0023 0.0053 0.0142
Schistosoma mansoni ran 0.0023 0.0053 0.002
Brugia malayi hypothetical protein 0.014 0.1331 0.1639
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.01 0.0896 0.7645
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0205 0.0252
Brugia malayi hypothetical protein 0.0041 0.0247 0.0304
Entamoeba histolytica Ran family GTPase 0.0023 0.0053 0.0142
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0124 0.116 1
Leishmania major silent information regulator 2, putative 0.01 0.0896 0.7645
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0041 0.0255 0.0269
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0109 0.0638
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0762 0.8121 1
Brugia malayi NAD-dependent deacetylase SIRT1 0.0762 0.8121 1
Brugia malayi hypothetical protein 0.0171 0.1671 0.2058
Brugia malayi RNA, U transporter 1 0.0089 0.0771 0.0949
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.0925 0.1099
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0053 0.0142
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0143 0.0942
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.01 0.0896 0.0862
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0109 0.0638
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0111 0.1018 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0391 0.0438
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0041 0.0255 0.0269
Giardia lamblia Sirtuin type 2 0.01 0.0896 0.1062
Echinococcus multilocularis tar DNA binding protein 0.0072 0.0593 0.0558
Plasmodium vivax hypothetical protein, conserved 0.01 0.0896 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0109 0.0834
Loa Loa (eye worm) TAR-binding protein 0.0072 0.0593 0.0688
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0041 0.0255 0.0269
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0109 0.0638
Loa Loa (eye worm) inositol-1 0.0124 0.116 0.139
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0078 0.0369
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.01 0.0896 0.7645
Loa Loa (eye worm) hypothetical protein 0.0762 0.8121 1
Plasmodium vivax importin-beta 2, putative 0.0031 0.0143 0.1232
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.01 0.0896 0.7645
Loa Loa (eye worm) hypothetical protein 0.014 0.1331 0.1601
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0109 0.0834
Echinococcus multilocularis inositol monophosphatase 1 0.0124 0.116 0.1128
Giardia lamblia Transcriptional regulator, Sir2 family 0.01 0.0896 0.1062
Brugia malayi transcriptional regulator, Sir2 family protein 0.01 0.0896 0.1103
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0255 0.1939
Brugia malayi hypothetical protein 0.0028 0.0109 0.0134
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0053 0.0065
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.01 0.0896 0.7645
Toxoplasma gondii histone deacetylase SIR2 0.01 0.0896 0.7645
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0053 0.0142
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0041 0.0255 0.0219
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0925 0.1099
Loa Loa (eye worm) transcriptional regulator 0.01 0.0896 0.1062
Schistosoma mansoni hypothetical protein 0.0333 0.3438 0.4207
Plasmodium falciparum transcriptional regulatory protein sir2b 0.01 0.0896 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.01 0.0896 0.1062
Echinococcus granulosus snurportin 1 0.0333 0.3438 0.4207
Schistosoma mansoni chromatin regulatory protein sir2 0.01 0.0896 0.1062
Schistosoma mansoni chromatin regulatory protein sir2 0.01 0.0896 0.1062
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0053 0.0185
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.01 0.0896 0.7645
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0124 0.116 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.01 0.0896 0.7645
Trichomonas vaginalis inositol monophosphatase, putative 0.0124 0.116 0.139
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.0593 0.073
Brugia malayi transcriptional regulator, Sir2 family protein 0.01 0.0896 0.1103
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0103 0.0925 0.1139
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.01 0.0896 0.1062
Echinococcus granulosus inositol monophosphatase 1 0.0124 0.116 0.139
Toxoplasma gondii histone deacetylase SIR2-like 0.01 0.0896 0.7645
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0041 0.0255 0.0269
Echinococcus multilocularis snurportin 1 0.0333 0.3438 0.3413
Loa Loa (eye worm) hypothetical protein 0.0028 0.0109 0.0089
Entamoeba histolytica hypothetical protein 0.0041 0.0247 0.1872
Loa Loa (eye worm) hypothetical protein 0.0031 0.0143 0.0131
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.0925 0.1099
Trichomonas vaginalis ran, putative 0.0023 0.0053 0.002
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0037 0.5
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.01 0.0896 0.7645
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0053 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0255 0.0269
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.01 0.0896 0.1062
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0762 0.8121 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0041 0.0255 0.1939
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0925 0.1099
Loa Loa (eye worm) transcriptional regulator 0.01 0.0896 0.1062
Plasmodium falciparum importin beta, putative 0.0031 0.0143 0.1232
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.01 0.0896 0.1062
Loa Loa (eye worm) hypothetical protein 0.0662 0.7027 0.8647
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0053 0.002
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0078 0.0051
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0593 0.0688
Leishmania major importin beta-1 subunit, putative 0.0025 0.0078 0.0369
Schistosoma mansoni chromatin regulatory protein sir2 0.01 0.0896 0.1062
Schistosoma mansoni inositol monophosphatase 0.0124 0.116 0.139
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0762 0.8121 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.01 0.0896 0.0862
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0143 0.0942
Echinococcus granulosus tar DNA binding protein 0.0072 0.0593 0.0688
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0333 0.3438 0.4207
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0593 0.0688
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0053 0.0142
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0124 0.116 0.139
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0124 0.116 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.1671 0.2022
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0255 0.1939
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0109 0.0638
Giardia lamblia Hypothetical protein 0.01 0.0896 0.1062
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0143 0.0942
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0103 0.0925 0.1099
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0041 0.0255 0.1939
Schistosoma mansoni chromatin regulatory protein sir2 0.01 0.0896 0.1062
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.0593 0.0688
Schistosoma mansoni chromatin regulatory protein sir2 0.01 0.0896 0.1062
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.01 0.0896 0.1062
Schistosoma mansoni importin beta-1 0.0031 0.0143 0.0131
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0109 0.0834
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.01 0.0896 0.0862
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0041 0.0255 0.0219
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0078 0.0051
Schistosoma mansoni chromatin regulatory protein sir2 0.0762 0.8121 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0247 0.0211
Entamoeba histolytica hypothetical protein 0.0041 0.0247 0.1872
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0078 0.0051
Brugia malayi transcriptional regulator, Sir2 family protein 0.01 0.0896 0.1103
Leishmania major hypothetical protein, conserved 0.0028 0.0109 0.0638
Loa Loa (eye worm) sirtuin 4 0.01 0.0896 0.1062
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0762 0.8121 0.8114
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0247 0.026
Echinococcus granulosus importin subunit beta 1 0.0031 0.0143 0.0131
Schistosoma mansoni chromatin regulatory protein sir2 0.01 0.0896 0.1062
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0124 0.116 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0053 0.0016
Schistosoma mansoni ran 0.0023 0.0053 0.002
Mycobacterium ulcerans Sir2-like regulatory protein 0.01 0.0896 0.7645
Echinococcus multilocularis chromatin regulatory protein sir2 0.01 0.0896 0.0862
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.01 0.0896 0.1062
Loa Loa (eye worm) RNA binding protein 0.0072 0.0593 0.0688
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0762 0.8121 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.0925 0.0891
Trypanosoma brucei SIR2-like protein 4, putative 0.01 0.0896 0.7645
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0762 0.8121 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0391 0.0481
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0143 0.0106
Echinococcus granulosus chromatin regulatory protein sir2 0.01 0.0896 0.1062
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0041 0.0255 0.0269
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0593 0.0688
Brugia malayi Importin beta-1 subunit 0.0031 0.0143 0.0176
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0041 0.0255 0.0269
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0247 0.026
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0593 0.0688
Trypanosoma brucei Silent information regulator 2 related protein 3 0.01 0.0896 0.7645
Loa Loa (eye worm) hypothetical protein 0.0054 0.0391 0.0438
Echinococcus multilocularis ubiquitin specific protease 41 0.0041 0.0255 0.0219
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0053 0.002
Entamoeba histolytica hypothetical protein 0.0041 0.0247 0.1872
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.01 0.0896 0.7645
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0255 0.1939
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0391 0.0481
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0593 0.0688
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.01 0.0896 0.1062
Entamoeba histolytica hypothetical protein, conserved 0.01 0.0896 0.7645
Loa Loa (eye worm) hypothetical protein 0.014 0.1331 0.1601
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0053 0.0142
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0124 0.116 1
Plasmodium falciparum transcriptional regulatory protein sir2a 0.01 0.0896 1
Leishmania major sir2-family protein-like protein 0.01 0.0896 0.7645
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0124 0.116 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0124 0.116 1
Brugia malayi RNA binding protein 0.0072 0.0593 0.073
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.0925 0.0891
Brugia malayi TAR-binding protein 0.0072 0.0593 0.073
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0925 0.1099
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0037 0.0045
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.01 0.0896 0.1062
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.01 0.0896 0.1062
Onchocerca volvulus 0.0171 0.1671 1
Echinococcus granulosus ubiquitin specific protease 41 0.0041 0.0255 0.0269

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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