Detailed information for compound 1658609

Basic information

Technical information
  • TDR Targets ID: 1658609
  • Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(3-methyl-5 -methylsulfanylimidazo[4,5-d][1,2]thiazol-6-y l)oxolane-3,4-diol
  • MW: 317.385 | Formula: C11H15N3O4S2
  • H donors: 3 H acceptors: 5 LogP: 0.47 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1c(SC)nc2c1snc2C
  • InChi: 1S/C11H15N3O4S2/c1-4-6-10(20-13-4)14(11(12-6)19-2)9-8(17)7(16)5(3-15)18-9/h5,7-9,15-17H,3H2,1-2H3/t5-,7-,8+,9-/m1/s1
  • InChiKey: PAGGYHJQVZRZGF-BUJSFMDZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(3-methyl-5-methylsulfanyl-imidazo[4,5-d]isothiazol-6-yl)tetrahydrofuran-3,4-diol
  • (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[3-methyl-5-(methylthio)-6-imidazo[4,5-d]isothiazolyl]tetrahydrofuran-3,4-diol
  • (2R,3S,4S,5R)-2-[3-methyl-5-(methylthio)imidazo[4,5-d]isothiazol-6-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(3-methyl-5-methylsulfanyl-imidazo[4,5-d][1,2]thiazol-6-yl)oxolane-3,4-diol
  • 2-Hydroxymethyl-5-(3-methyl-5-methylsulfanyl-1-thia-2,4,6-triaza-pentalen-6-yl)-tetrahydro-furan-3,4-diol
  • AIDS-192737
  • AIDS192737

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 multilocularis eukaryotic initiation factor 4A 0.0098 0.0246 0.0246
Trypanosoma cruzi cysteine protease, putative 0.0174 0.12 0.12
Loa Loa (eye worm) ctsf protein 0.0315 0.2959 0.2959
Echinococcus granulosus cathepsin l1 0.0219 0.1759 0.1759
Loa Loa (eye worm) hypothetical protein 0.0219 0.1759 0.1759
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0098 0.0246 0.0794
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Loa Loa (eye worm) cysteine protease 0.0315 0.2959 0.2959
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0174 0.12 0.12
Echinococcus multilocularis cathepsin L cysteine protease 0.0315 0.2959 0.2959
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0096 0.0221 0.0221
Brugia malayi Cathepsin L-like cysteine proteinase 0.0219 0.1759 0.1759
Toxoplasma gondii cathepsin B 0.0326 0.3093 1
Loa Loa (eye worm) hypothetical protein 0.0315 0.2959 0.2959
Leishmania major cathepsin L-like protease 0.0315 0.2959 0.953
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Onchocerca volvulus 0.0315 0.2959 1
Echinococcus granulosus cathepsin b 0.0878 1 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0098 0.0246 0.083
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0315 0.2959 0.953
Onchocerca volvulus 0.0089 0.0129 0.0437
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0878 1 1
Brugia malayi Cathepsin L-like precursor 0.0096 0.0221 0.0221
Entamoeba histolytica cysteine proteinase, putative 0.0174 0.12 0.4054
Leishmania major cathepsin L-like protease 0.0315 0.2959 0.953
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0315 0.2959 0.9567
Entamoeba histolytica cysteine protease, putative 0.0315 0.2959 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0098 0.0246 0.0794
Trypanosoma cruzi cysteine peptidase, putative 0.0315 0.2959 0.2959
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0174 0.12 0.12
Loa Loa (eye worm) hypothetical protein 0.0137 0.0735 0.0735
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0315 0.2959 0.9567
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0315 0.2959 0.2959
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0174 0.12 0.12
Giardia lamblia Cathepsin B precursor 0.0326 0.3093 1
Giardia lamblia Cathepsin B precursor 0.0326 0.3093 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0878 1 1
Toxoplasma gondii cathepsin CPL 0.0315 0.2959 0.9567
Trypanosoma cruzi cysteine proteinase, putative 0.0174 0.12 0.12
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0315 0.2959 0.953
Onchocerca volvulus 0.0315 0.2959 1
Onchocerca volvulus Cathepsin L homolog 0.0315 0.2959 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0098 0.0246 0.0246
Loa Loa (eye worm) fibroinase 0.0315 0.2959 0.2959
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0174 0.12 0.3878
Onchocerca volvulus 0.0315 0.2959 1
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Echinococcus granulosus cathepsin l1 0.0315 0.2959 0.2959
Schistosoma mansoni cathepsin F (C01 family) 0.0315 0.2959 0.2959
Leishmania major cathepsin L-like protease 0.0315 0.2959 0.953
Onchocerca volvulus 0.0219 0.1759 0.5946
Plasmodium vivax vivapain-2 0.0315 0.2959 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0326 0.3093 1
Schistosoma mansoni cathepsin F (C01 family) 0.0315 0.2959 0.2959
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0326 0.3093 0.3093
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.1923 0.1923
Treponema pallidum ATP-dependent RNA helicase 0.0098 0.0246 0.5
Onchocerca volvulus 0.0315 0.2959 1
Echinococcus granulosus cathepsin L 0.0174 0.12 0.12
Brugia malayi Trypsin family protein 0.0137 0.0735 0.0735
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0174 0.12 0.3878
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0315 0.2959 0.9567
Brugia malayi Cathepsin L-like precursor 0.0315 0.2959 0.2959
Leishmania major cathepsin L-like protease 0.0315 0.2959 0.953
Brugia malayi eukaryotic initiation factor 4A 0.0098 0.0246 0.0246
Plasmodium vivax RNA helicase-1, putative 0.0098 0.0246 0.083
Onchocerca volvulus 0.0315 0.2959 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0098 0.0246 0.0246
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0096 0.0221 0.0221
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0098 0.0246 0.0794
Giardia lamblia Cathepsin B precursor 0.0326 0.3093 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0221 0.0221
Plasmodium vivax unspecified product 0.0096 0.0221 0.0746
Brugia malayi Cathepsin L-like precursor 0.0219 0.1759 0.1759
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0098 0.0246 0.0794
Loa Loa (eye worm) hypothetical protein 0.0095 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0098 0.0246 0.0246
Loa Loa (eye worm) DEAH box polypeptide 35 0.0095 0.0205 0.0205
Plasmodium falciparum eukaryotic initiation factor 4A 0.0098 0.0246 0.083
Onchocerca volvulus 0.0315 0.2959 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0315 0.2959 0.9567
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0137 0.0735 0.0735
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Loa Loa (eye worm) hypothetical protein 0.0096 0.0221 0.0221
Onchocerca volvulus Cathepsin L homolog 0.0315 0.2959 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Trichomonas vaginalis set domain proteins, putative 0.0273 0.243 0.7858
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0219 0.1759 0.1759
Brugia malayi Cathepsin L-like precursor 0.0315 0.2959 0.2959
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Entamoeba histolytica cysteine proteinase, putative 0.0174 0.12 0.4054
Loa Loa (eye worm) hypothetical protein 0.0219 0.1759 0.1759
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0098 0.0246 0.0794
Leishmania major cathepsin L-like protease 0.0315 0.2959 0.953
Echinococcus multilocularis cathepsin b 0.0878 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0096 0.0221 0.0221
Plasmodium falciparum cysteine proteinase falcipain 1 0.0174 0.12 0.4054
Loa Loa (eye worm) hypothetical protein 0.0232 0.1923 0.1923
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.12 0.335
Brugia malayi Cathepsin L-like precursor 0.0315 0.2959 0.2959
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Echinococcus granulosus cathepsin b 0.0878 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0174 0.12 0.4054
Onchocerca volvulus 0.0273 0.243 0.8213
Echinococcus granulosus cathepsin l cysteine peptidase 0.0315 0.2959 0.2959
Trypanosoma cruzi cysteine peptidase, putative 0.0315 0.2959 0.2959
Onchocerca volvulus Cathepsin F homolog 0.0315 0.2959 1
Plasmodium vivax unspecified product 0.0174 0.12 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0315 0.2959 0.953
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0315 0.2959 0.953
Leishmania major cathepsin L-like protease 0.0315 0.2959 0.953
Plasmodium vivax vivapain-1 0.0174 0.12 0.4054
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0137 0.0735 0.0735
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0315 0.2959 0.953
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0315 0.2959 0.9567
Schistosoma mansoni cathepsin s 0.0096 0.0221 0.0221
Echinococcus granulosus cathepsin L cysteine protease 0.0174 0.12 0.12
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0315 0.2959 0.2959
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0315 0.2959 0.2959
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0098 0.0246 0.0246
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0315 0.2959 0.953
Trypanosoma cruzi cysteine peptidase, putative 0.0174 0.12 0.12
Loa Loa (eye worm) hypothetical protein 0.0096 0.0221 0.0221
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Brugia malayi Cathepsin L-like precursor 0.0219 0.1759 0.1759
Brugia malayi Papain family cysteine protease containing protein 0.0174 0.12 0.12
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0878 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0315 0.2959 0.2959
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0315 0.2959 0.9567
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Loa Loa (eye worm) hypothetical protein 0.0137 0.0735 0.0735
Brugia malayi Cathepsin L-like precursor 0.0315 0.2959 0.2959
Echinococcus granulosus eukaryotic initiation factor 4A 0.0098 0.0246 0.0246
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0315 0.2959 0.953
Brugia malayi hypothetical protein 0.0232 0.1923 0.1923
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0174 0.12 0.12
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Brugia malayi Cathepsin L-like precursor 0.0315 0.2959 0.2959
Brugia malayi Pre-SET motif family protein 0.024 0.2016 0.2016
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0315 0.2959 0.953
Brugia malayi Cathepsin L-like precursor 0.0315 0.2959 0.2959
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Entamoeba histolytica cysteine proteinase 1, putative 0.0174 0.12 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Leishmania major cathepsin L-like protease 0.0315 0.2959 0.953
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0219 0.1759 0.5688
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.12 0.335
Plasmodium vivax vivapain-3 0.0174 0.12 0.4054
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0098 0.0246 0.0246
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0315 0.2959 0.953
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0315 0.2959 0.9567
Trypanosoma cruzi cysteine peptidase, putative 0.0315 0.2959 0.2959
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0219 0.1759 0.5688
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0326 0.3093 1
Entamoeba histolytica cysteine proteinase 2 0.0174 0.12 0.4054
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.2016 0.2016
Brugia malayi Probable ATP-dependent helicase DHX35 0.0095 0.0205 0.0205
Echinococcus granulosus cathepsin L cysteine proteinase 0.0315 0.2959 0.2959
Entamoeba histolytica cysteine proteinase, putative 0.0315 0.2959 1
Entamoeba histolytica cysteine proteinase, putative 0.0315 0.2959 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0315 0.2959 0.2959
Onchocerca volvulus 0.0315 0.2959 1
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0219 0.1759 0.5946
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0315 0.2959 0.953
Echinococcus multilocularis cysteine protease 0.0315 0.2959 0.2959
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0098 0.0246 0.0246
Echinococcus multilocularis cathepsin L cysteine protease 0.0315 0.2959 0.2959
Onchocerca volvulus 0.0137 0.0735 0.2486
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0878 1 1
Echinococcus multilocularis cathepsin b 0.0878 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0315 0.2959 0.9567
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0315 0.2959 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0315 0.2959 0.9567
Plasmodium vivax vivapain-2 0.0315 0.2959 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Loa Loa (eye worm) cathepsin B 0.0326 0.3093 0.3093
Entamoeba histolytica cysteine proteinase, putative 0.0174 0.12 0.4054
Brugia malayi cathepsin F-like cysteine proteinase 0.0096 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0219 0.1759 0.1759
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0098 0.0246 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0098 0.0246 0.083
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0315 0.2959 0.9567
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0098 0.0246 0.0246
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0315 0.2959 0.953
Loa Loa (eye worm) hypothetical protein 0.0878 1 1
Echinococcus granulosus cysteine protease 0.0174 0.12 0.12
Echinococcus multilocularis cysteine protease 0.0315 0.2959 0.2959
Echinococcus multilocularis cathepsin L 0.0174 0.12 0.12
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0878 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0219 0.1759 0.1759
Trypanosoma cruzi cysteine proteinase, putative 0.0174 0.12 0.12
Brugia malayi cathepsin L-like precursor 0.0219 0.1759 0.1759
Trypanosoma cruzi cysteine peptidase, putative 0.0096 0.0221 0.0221
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0326 0.3093 0.3093
Leishmania major cysteine peptidase A (CPA) 0.0315 0.2959 0.953
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.1923 0.1923
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0315 0.2959 0.9567
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0315 0.2959 1
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0315 0.2959 0.9567
Trypanosoma cruzi cruzipain precursor, putative 0.0315 0.2959 0.2959
Brugia malayi Papain family cysteine protease containing protein 0.0315 0.2959 0.2959
Brugia malayi Papain family cysteine protease containing protein 0.0174 0.12 0.12
Entamoeba histolytica cysteine protease, putative 0.0174 0.12 0.4054
Leishmania major cathepsin L-like protease 0.0315 0.2959 0.953
Trypanosoma brucei cysteine peptidase C (CPC) 0.0326 0.3093 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0315 0.2959 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM Antiproliferative activity against murine L1210 cells ChEMBL. 9057864
IC50 (functional) > 100 uM Antiproliferative activity against KB cell ChEMBL. 9057864
IC50 (functional) > 100 uM Inhibition against human foreskin fibroblast (HFF) in a visual assay at time of plaque enumeration ChEMBL. 9057864

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.