Detailed information for compound 1060156

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 266.253 | Formula: C11H14N4O4
  • H donors: 6 H acceptors: 4 LogP: -2.54 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@@]1(NC[C@@H]([C@@H]1O)O)c1c[nH]c2c1nc[nH]c2=O
  • InChi: 1S/C11H14N4O4/c16-3-11(9(18)6(17)2-15-11)5-1-12-8-7(5)13-4-14-10(8)19/h1,4,6,9,12,15-18H,2-3H2,(H,13,14,19)/t6-,9-,11+/m0/s1
  • InChiKey: AEUGGDFVABOKCJ-DQBIJJQNSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens purine nucleoside phosphorylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to human 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 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 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
Loa Loa (eye worm) hypothetical protein 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
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 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
Onchocerca volvulus Purine nucleoside phosphorylase homolog 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 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
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
Schistosoma japonicum Purine nucleoside phosphorylase, putative 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
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
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 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 leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 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
Schistosoma mansoni purine nucleoside phosphorylase 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
Echinococcus multilocularis purine nucleoside phosphorylase 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
Trypanosoma brucei methylthioadenosine phosphorylase, putative purine nucleoside phosphorylase 289 aa 255 aa 23.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0154 0.5637 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0426 0.3579
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.1191 0.0409
Echinococcus multilocularis uridine phosphorylase 1 0.0032 0.0816 0.1173
Leishmania major nucleoside phosphorylase-like protein 0.0032 0.0816 0.509
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0154 0.5637 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1512 0.2447
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.1191 0.1468
Trypanosoma brucei uridine phosphorylase 0.0032 0.0816 0.509
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0032 0.0816 1
Echinococcus granulosus uridine phosphorylase 1 0.0032 0.0816 0.1173
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.1191 0.0409
Loa Loa (eye worm) hypothetical protein 0.0028 0.0675 0.1541
Brugia malayi beta-lactamase family protein 0.0041 0.1191 0.186
Echinococcus multilocularis lamin dm0 0.0061 0.1964 0.3276
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.1191 0.186
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.5637 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0154 0.5637 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0032 0.0816 0.6847
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.5637 1
Loa Loa (eye worm) uridine phosphorylase 0.0032 0.0816 0.1863
Loa Loa (eye worm) beta-lactamase 0.0041 0.1191 0.2721
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0032 0.0816 0.0747
Chlamydia trachomatis AMP nucleosidase 0.0032 0.0816 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1512 0.3453
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0426 0.3579
Loa Loa (eye worm) hypothetical protein 0.0122 0.4378 1
Echinococcus multilocularis lamin 0.0061 0.1964 0.3276
Onchocerca volvulus 0.0061 0.1964 0.1739
Schistosoma mansoni uridine phosphorylase 0.0032 0.0816 0.1447
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0175 0.04
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0033 0.0847 0.1934
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.5637 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0032 0.0816 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.1191 0.2113
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.5637 1
Loa Loa (eye worm) RecQ helicase 0.0022 0.0426 0.0974
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.1191 0.186
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.5637 1
Brugia malayi cytoplasmic intermediate filament protein 0.0033 0.0847 0.1229
Mycobacterium leprae Probable lipase LipE 0.0041 0.1191 0.0779
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.1191 0.0409
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0426 0.046
Loa Loa (eye worm) hypothetical protein 0.0028 0.0675 0.1541
Schistosoma mansoni purine nucleoside phosphorylase 0.0154 0.5637 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0.0816 0.0747
Entamoeba histolytica hypothetical protein 0.0032 0.0816 1
Schistosoma mansoni hypothetical protein 0.0034 0.0893 0.1584
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0032 0.0816 0.1863
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0032 0.0816 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.1191 0.1468
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.1191 0.2721
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0029 0.0719 0.0995
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0154 0.5637 0.5249
Loa Loa (eye worm) hypothetical protein 0.0022 0.0426 0.0974
Brugia malayi MTAP 0.0032 0.0816 0.1173
Loa Loa (eye worm) hypothetical protein 0.0041 0.1191 0.2721
Plasmodium falciparum purine nucleoside phosphorylase 0.0032 0.0816 1
Mycobacterium ulcerans beta-lactamase 0.0041 0.1191 0.0779
Brugia malayi uridine phosphorylase family protein 0.0032 0.0816 0.1173
Loa Loa (eye worm) hypothetical protein 0.0029 0.0719 0.1642
Loa Loa (eye worm) hypothetical protein 0.0041 0.1191 0.2721
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1564 0.2543
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.1191 0.186
Loa Loa (eye worm) hypothetical protein 0.0041 0.1191 0.2721
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0032 0.0816 0.6847
Echinococcus granulosus intermediate filament protein 0.0061 0.1964 0.3276
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0154 0.5637 1
Mycobacterium ulcerans lipase LipD 0.0041 0.1191 0.0779
Loa Loa (eye worm) hypothetical protein 0.0011 0.00000000035862 0.00000000081915
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0154 0.5637 1
Toxoplasma gondii phosphorylase family protein 0.0032 0.0816 0.6847
Entamoeba histolytica recQ family helicase, putative 0.0022 0.0426 0.5227
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.5637 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0426 0.046
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0032 0.0816 0.6847
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1564 0.2775
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0032 0.0816 0.509
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.5637 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.1191 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.1564 0.2543
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0.0816 0.0747
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.0426 0.046
Mycobacterium ulcerans hypothetical protein 0.0041 0.1191 0.0779
Echinococcus granulosus lamin 0.0061 0.1964 0.3276
Loa Loa (eye worm) hypothetical protein 0.0041 0.1191 0.2721
Schistosoma mansoni hypothetical protein 0.0016 0.0175 0.0311
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0.0816 0.0747
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.0426 0.046
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0816 0.0747
Schistosoma mansoni lamin 0.0061 0.1964 0.3485
Mycobacterium tuberculosis Conserved protein 0.0041 0.1191 0.0409
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0032 0.0816 0.0747
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.5637 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.1191 0.2113
Echinococcus granulosus methylthioadenosine phosphorylase 0.0032 0.0816 0.1173
Toxoplasma gondii Purine nucleoside phosphorylase 0.0032 0.0816 0.6847
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0.0816 0.0747
Treponema pallidum pfs protein (pfs) 0.0032 0.0816 1
Echinococcus multilocularis musashi 0.0061 0.1964 0.3276
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0032 0.0816 1
Leishmania major hypothetical protein, conserved 0.0041 0.1191 1
Toxoplasma gondii ABC1 family protein 0.0041 0.1191 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.1964 0.4487
Schistosoma mansoni DNA helicase recq1 0.0022 0.0426 0.0756
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0032 0.0816 0.6847
Loa Loa (eye worm) hypothetical protein 0.006 0.192 0.4387
Loa Loa (eye worm) hypothetical protein 0.0016 0.0175 0.04
Loa Loa (eye worm) hypothetical protein 0.0049 0.1512 0.3453
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0426 0.046
Trichomonas vaginalis esterase, putative 0.0041 0.1191 0.1468
Plasmodium vivax hypothetical protein, conserved 0.0041 0.1191 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0.0816 0.0747
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.0426 0.0974
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.1191 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.5637 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.0426 0.046
Echinococcus granulosus lamin dm0 0.0061 0.1964 0.3276
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0032 0.0816 1
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0154 0.5637 1
Leishmania major methylthioadenosine phosphorylase, putative 0.0032 0.0816 0.509
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.1564 0.3572
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0.0816 0.0747
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.5637 1
Loa Loa (eye worm) intermediate filament protein 0.0061 0.1964 0.4487
Brugia malayi beta-lactamase family protein 0.0041 0.1191 0.186
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0032 0.0816 0.6847
Schistosoma mansoni DNA helicase recq5 0.0022 0.0426 0.0756
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.1191 0.1468
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0122 0.4378 0.7695
Schistosoma mansoni intermediate filament proteins 0.0061 0.1964 0.3485
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.1191 0.0409
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0893 0.1314
Echinococcus multilocularis purine nucleoside phosphorylase 0.0122 0.4378 0.7695
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0816 0.0747
Schistosoma mansoni uridine phosphorylase 0.0032 0.0816 0.1447
Schistosoma mansoni hypothetical protein 0.0016 0.0175 0.0311
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.5637 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.1191 0.0779
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.1191 0.1468
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0029 0.0719 0.0995
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0154 0.5637 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.5637 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0032 0.0816 0.6847
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.1191 0.1468
Schistosoma mansoni lamin 0.0061 0.1964 0.3485
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0426 0.046
Loa Loa (eye worm) hypothetical protein 0.0041 0.1191 0.2721
Schistosoma mansoni hypothetical protein 0.0016 0.0175 0.0311
Onchocerca volvulus 0.0061 0.1964 0.1739
Mycobacterium tuberculosis Conserved protein 0.0041 0.1191 0.0409
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1512 0.2447
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0.0816 0.0747
Brugia malayi Intermediate filament tail domain containing protein 0.0061 0.1964 0.3276
Schistosoma mansoni methylthioadenosine phosphorylase 0.0032 0.0816 0.1447
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.5637 1
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0032 0.0816 1
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.1191 0.0409
Echinococcus granulosus bloom syndrome protein 0.0022 0.0426 0.046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1564 0.2775
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.1191 0.0779
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.0426 0.046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1564 0.2543
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0061 0.1964 0.4487
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0032 0.0816 0.1173
Loa Loa (eye worm) hypothetical protein 0.0034 0.0893 0.204
Brugia malayi beta-lactamase 0.0041 0.1191 0.186
Schistosoma mansoni methylthioadenosine phosphorylase 0.0032 0.0816 0.1447
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.1191 0.0409
Mycobacterium leprae conserved hypothetical protein 0.0041 0.1191 0.0779
Schistosoma mansoni methylthioadenosine phosphorylase 0.0032 0.0816 0.1447
Brugia malayi intermediate filament protein 0.0061 0.1964 0.3276
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.1191 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1564 0.2543
Treponema pallidum uridine phosphorylase (udp) 0.0032 0.0816 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1191 0.2721
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0426 0.3579
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1564 0.2543
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.1191 0.0409
Schistosoma mansoni hypothetical protein 0.0016 0.0175 0.0311
Echinococcus multilocularis purine nucleoside phosphorylase 0.0122 0.4378 0.7695
Mycobacterium tuberculosis Conserved protein 0.0041 0.1191 0.0409
Giardia lamblia UPL-1 0.0032 0.0816 0.0747
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0032 0.0816 1
Toxoplasma gondii phosphorylase family protein 0.0032 0.0816 0.6847
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1564 0.2775
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.5637 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 100 nM Inhibition of human purine nucleoside phosphorylase ChEMBL. 19386498

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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