Detailed information for compound 133593

Basic information

Technical information
  • TDR Targets ID: 133593
  • Name: 2-amino-7-(thiophen-3-ylmethyl)-1,5-dihydropy rrolo[3,2-d]pyrimidin-4-one
  • MW: 246.288 | Formula: C11H10N4OS
  • H donors: 3 H acceptors: 3 LogP: 1.65 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(O)c2c(n1)c(c[nH]2)Cc1cscc1
  • InChi: 1S/C11H10N4OS/c12-11-14-8-7(3-6-1-2-17-5-6)4-13-9(8)10(16)15-11/h1-2,4-5,13H,3H2,(H3,12,14,15,16)
  • InChiKey: QDPMHXUWMPNTEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-7-(3-thienylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
  • 2-azanyl-7-(thiophen-3-ylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
  • 2-amino-7-(3-thenyl)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
  • 9-deaza-9-(3-thienylmethyl)guanine
  • 2-amino-7-(thiophen-3-ylmethyl)-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 2-amino-7-(3-thienylmethyl)-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 132138-76-2
  • 2-Amino-1,5-dihydro-7-(3-thienylmethyl)-4H-pyrrolo(3,2-d)pyrimidin-4-one
  • 4H-Pyrrolo(3,2-d)pyrimidin-4-one, 2-amino-1,5-dihydro-7-(3-thienylmethyl)-
  • CI 1000
  • CI 1000 (immunosuppressant)
  • PD 141955
  • PD-141955

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Purine nucleoside phosphorylase Starlite/ChEMBL References
Rattus norvegicus Purine-nucleoside phosphorylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128114 All targets in OG5_128114
Candida albicans similar to human purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) Get druggable targets OG5_128114 All targets in OG5_128114
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein Get druggable targets OG5_128114 All targets in OG5_128114
Mycobacterium ulcerans purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Schistosoma japonicum ko:K03783 purine-nucleoside phosphorylase, putative Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Candida albicans similar to human purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Trichomonas vaginalis purine nucleoside phosphorylase I, putative Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate Get druggable targets OG5_128114 All targets in OG5_128114
Schistosoma japonicum Purine nucleoside phosphorylase, putative Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Schistosoma mansoni purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Onchocerca volvulus Purine nucleoside phosphorylase homolog Get druggable targets OG5_128114 All targets in OG5_128114
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania infantum methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 270 aa 22.6 %
Leishmania braziliensis methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 255 aa 23.5 %
Leishmania major methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 258 aa 22.9 %
Trypanosoma brucei methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 276 aa 23.2 %
Trypanosoma cruzi methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 243 aa 24.3 %
Onchocerca volvulus Purine-nucleoside phosphorylase   289 aa 275 aa 22.2 %
Leishmania mexicana methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 259 aa 23.9 %
Trypanosoma brucei gambiense methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 276 aa 23.2 %
Echinococcus multilocularis methylthioadenosine phosphorylase Purine-nucleoside phosphorylase   289 aa 234 aa 26.5 %
Trypanosoma cruzi methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 243 aa 23.9 %
Leishmania donovani methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 270 aa 22.6 %
Trypanosoma congolense methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 238 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0064 0.1392 0.189
Loa Loa (eye worm) hypothetical protein 0.0028 0.0552 0.0773
Schistosoma mansoni lamin 0.0028 0.0564 0.0564
Echinococcus multilocularis cpg binding protein 0.0032 0.0648 0.0578
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0064 0.1392 0.189
Schistosoma mansoni hypothetical protein 0.0431 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0308 0.711 0.7088
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.5738 0.5706
Schistosoma mansoni methylthioadenosine phosphorylase 0.0064 0.1392 0.1392
Schistosoma mansoni hypothetical protein 0.0179 0.4083 0.4083
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0288 0.0215
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1129 0.145
Brugia malayi intermediate filament protein 0.0028 0.0564 0.0642
Schistosoma mansoni cpg binding protein 0.0032 0.0648 0.0648
Brugia malayi CXXC zinc finger family protein 0.003 0.0608 0.0704
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1028 0.1028
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1129 0.18
Loa Loa (eye worm) hypothetical protein 0.0249 0.5738 1
Onchocerca volvulus 0.0051 0.1089 0.0802
Echinococcus multilocularis purine nucleoside phosphorylase 0.0308 0.711 0.7088
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0064 0.1392 0.189
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Echinococcus granulosus lamin dm0 0.0028 0.0564 0.0493
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0255 0.0244
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0244 0.5616 0.5584
Loa Loa (eye worm) hypothetical protein 0.0053 0.1129 0.18
Loa Loa (eye worm) hypothetical protein 0.0017 0.0288 0.0303
Trypanosoma brucei uridine phosphorylase 0.0064 0.1392 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.074 0.1107
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0255 0.02
Echinococcus multilocularis purine nucleoside phosphorylase 0.0244 0.5616 0.5584
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0308 0.711 1
Schistosoma mansoni hypothetical protein 0.0017 0.0288 0.0288
Schistosoma mansoni hypothetical protein 0.0036 0.074 0.074
Brugia malayi MTAP 0.0064 0.1392 0.1825
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0288 0.0215
Toxoplasma gondii phosphorylase family protein 0.0064 0.1392 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0564 0.0795
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1028 0.1028
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.1089 0.1393
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0064 0.1392 0.189
Schistosoma mansoni lamin 0.0028 0.0564 0.0564
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.022 0.0146
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0064 0.1392 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0208 0.016
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0064 0.1392 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0308 0.711 0.7088
Schistosoma mansoni hypothetical protein 0.0017 0.0288 0.0288
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0064 0.1392 0.5
Toxoplasma gondii phosphorylase family protein 0.0064 0.1392 1
Brugia malayi hypothetical protein 0.0249 0.5738 0.804
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0608 0.0871
Schistosoma mansoni hypothetical protein 0.0179 0.4083 0.4083
Schistosoma mansoni hypothetical protein 0.0017 0.0288 0.0288
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0074 0.0074
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1028 0.1305
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.1392 0.189
Schistosoma mansoni methylthioadenosine phosphorylase 0.0064 0.1392 0.1392
Treponema pallidum uridine phosphorylase (udp) 0.0064 0.1392 0.5
Echinococcus multilocularis lamin 0.0028 0.0564 0.0493
Echinococcus granulosus GPCR family 2 0.0017 0.0288 0.0215
Echinococcus multilocularis uridine phosphorylase 1 0.0064 0.1392 0.1327
Schistosoma mansoni methylthioadenosine phosphorylase 0.0064 0.1392 0.1392
Onchocerca volvulus 0.003 0.0608 0.0066
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1028 0.1619
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.1392 0.189
Echinococcus multilocularis purine nucleoside phosphorylase 0.0308 0.711 0.7088
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0064 0.1392 0.5
Chlamydia trachomatis AMP nucleosidase 0.0064 0.1392 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1028 0.0961
Entamoeba histolytica hypothetical protein 0.0064 0.1392 0.5
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0308 0.711 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0064 0.1392 0.5
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0308 0.711 1
Echinococcus multilocularis geminin 0.0179 0.4083 0.4039
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.5738 0.5706
Leishmania major methylthioadenosine phosphorylase, putative 0.0064 0.1392 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0244 0.5616 0.5584
Plasmodium falciparum purine nucleoside phosphorylase 0.0064 0.1392 0.5
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0308 0.711 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Loa Loa (eye worm) hypothetical protein 0.0013 0.0208 0.016
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0288 0.0247
Treponema pallidum pfs protein (pfs) 0.0064 0.1392 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0564 0.0795
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1129 0.145
Brugia malayi uridine phosphorylase family protein 0.0064 0.1392 0.1825
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0064 0.1392 0.189
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0064 0.1392 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1028 0.0961
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0064 0.1392 0.5
Echinococcus multilocularis GPCR, family 2 0.0017 0.0288 0.0215
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0564 0.0795
Loa Loa (eye worm) hypothetical protein 0.0244 0.5616 0.9783
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.074 0.0894
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0064 0.1392 0.2266
Echinococcus granulosus purine nucleoside phosphorylase 0.0308 0.711 0.7088
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1403 0.1403
Schistosoma mansoni cpg binding protein 0.0032 0.0648 0.0648
Echinococcus granulosus purine nucleoside phosphorylase 0.0308 0.711 0.7088
Schistosoma mansoni uridine phosphorylase 0.0064 0.1392 0.1392
Echinococcus granulosus cpg binding protein 0.0032 0.0648 0.0578
Schistosoma mansoni uridine phosphorylase 0.0064 0.1392 0.1392
Echinococcus granulosus purine nucleoside phosphorylase 0.0308 0.711 0.7088
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0064 0.1392 0.1327
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0288 0.0247
Schistosoma mansoni hypothetical protein 0.0051 0.1089 0.1089
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0288 0.0215
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0308 0.711 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0308 0.711 0.711
Leishmania major nucleoside phosphorylase-like protein 0.0064 0.1392 0.5
Toxoplasma gondii Purine nucleoside phosphorylase 0.0064 0.1392 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0308 0.711 0.7088
Echinococcus granulosus lamin 0.0028 0.0564 0.0493
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0064 0.1392 0.5
Echinococcus granulosus intermediate filament protein 0.0028 0.0564 0.0493
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0064 0.1392 0.189
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0564 0.0642
Echinococcus multilocularis purine nucleoside phosphorylase 0.0308 0.711 0.7088
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0308 0.711 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0308 0.711 0.7088
Echinococcus granulosus purine nucleoside phosphorylase 0.0308 0.711 0.7088
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0308 0.711 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0564 0.0564
Echinococcus multilocularis lamin dm0 0.0028 0.0564 0.0493
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1028 0.1028
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0064 0.1392 0.5
Schistosoma mansoni survival motor neuron protein 0.0051 0.1089 0.1089
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0064 0.1392 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0308 0.711 0.7088
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0064 0.1392 0.189
Schistosoma mansoni cpg binding protein 0.003 0.0608 0.0608
Schistosoma mansoni purine nucleoside phosphorylase 0.0308 0.711 0.711
Echinococcus granulosus geminin 0.0179 0.4083 0.4039
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0064 0.1392 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1028 0.0961
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0064 0.1392 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0288 0.0215
Echinococcus multilocularis purine nucleoside phosphorylase 0.0308 0.711 0.7088
Schistosoma mansoni hypothetical protein 0.0017 0.0288 0.0288
Echinococcus granulosus methylthioadenosine phosphorylase 0.0064 0.1392 0.1327
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1028 0.0961
Echinococcus multilocularis purine nucleoside phosphorylase 0.0308 0.711 0.7088
Echinococcus granulosus uridine phosphorylase 1 0.0064 0.1392 0.1327
Echinococcus multilocularis dnaJ subfamily B 0.0431 1 1
Echinococcus multilocularis musashi 0.0028 0.0564 0.0493
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.022 0.0146
Loa Loa (eye worm) uridine phosphorylase 0.0064 0.1392 0.2266
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0064 0.1392 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.022 0.0181
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0064 0.1392 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0288 0.0303

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 22.6 nM Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM. ChEMBL. 10395483
IC50 (binding) = 22.6 nM Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM. ChEMBL. 10395483
IC50 (binding) = 25 nM Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate ChEMBL. 8421291
IC50 (binding) = 25 nM Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP) ChEMBL. 8057293
IC50 (binding) = 25 nM Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate ChEMBL. 8421291
IC50 (binding) = 25 nM Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP) ChEMBL. 8057293
IC50 (binding) = 80 nM Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate ChEMBL. 8421291
IC50 (binding) = 80 nM Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate ChEMBL. 8421291
Ki (binding) = 3.5 nM Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as substrate. ChEMBL. 10395483
Ki (binding) = 3.5 nM Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as substrate. ChEMBL. 10395483
Ki (binding) = 15.6 nM Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM. ChEMBL. 10395483
Ki (binding) = 15.6 nM Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM. ChEMBL. 10395483
Ratio (binding) = 1.1 Ratio of IC50 values for guanine and related hypoxanthines in PNP inhibition assay ChEMBL. 8057293
Ratio (binding) = 1.45 Ratio of IC50 ino and Ki ino against purine nucleoside phosphorylase (PNP) ChEMBL. 10395483
Ratio (binding) = 3 Selectivity ratio of the compound is evaluated as (IC50(50 mM PO4) / IC50(1 mM PO4) ChEMBL. 8421291
Ratio (binding) = 4.47 Ratio of Ki ino and Kimesg against purine nucleoside phosphorylase (PNP) ChEMBL. 10395483
Ratio (binding) = 1.1 Ratio of IC50 values for guanine and related hypoxanthines in PNP inhibition assay ChEMBL. 8057293
Ratio (binding) = 1.45 Ratio of IC50 ino and Ki ino against purine nucleoside phosphorylase (PNP) ChEMBL. 10395483
Ratio (binding) = 3 Selectivity ratio of the compound is evaluated as (IC50(50 mM PO4) / IC50(1 mM PO4) ChEMBL. 8421291
Ratio (binding) = 4.47 Ratio of Ki ino and Kimesg against purine nucleoside phosphorylase (PNP) ChEMBL. 10395483

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

3 literature references were collected for this gene.

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