Detailed information for compound 310591
Basic information
Technical information
- TDR Targets ID: 310591
- Name: 6-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]hexyl phosphonic acid
- MW: 345.291 | Formula: C12H20N5O5P
-
H donors: 4
H acceptors: 7
LogP: -0.83
Rotable bonds: 9
Rule of 5 violations (Lipinski): 1 - SMILES: Nc1nc(O)c2c(n1)n(COCCCCCCP(=O)(O)O)cn2
- InChi: 1S/C12H20N5O5P/c13-12-15-10-9(11(18)16-12)14-7-17(10)8-22-5-3-1-2-4-6-23(19,20)21/h7H,1-6,8H2,(H2,19,20,21)(H3,13,15,16,18)
- InChiKey: AFMWGGHUEMCFBG-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 6-[(2-azanyl-6-oxo-3H-purin-9-yl)methoxy]hexylphosphonic acid
- 6-[(2-amino-6-keto-3H-purin-9-yl)methoxy]hexylphosphonic acid
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
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 |
|---|---|---|---|---|
| Entamoeba histolytica | hypothetical protein | 0.0032 | 0 | 0.5 |
| Trypanosoma cruzi | methylthioadenosine phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Trypanosoma cruzi | nucleoside phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Toxoplasma gondii | Purine nucleoside phosphorylase | 0.0032 | 0 | 0.5 |
| Echinococcus granulosus | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Trypanosoma brucei | uridine phosphorylase | 0.0032 | 0 | 0.5 |
| Echinococcus multilocularis | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Treponema pallidum | pfs protein (pfs) | 0.0032 | 0 | 0.5 |
| Leishmania major | nucleoside phosphorylase-like protein | 0.0032 | 0 | 0.5 |
| Trichomonas vaginalis | purine nucleoside phosphorylase I, putative | 0.0154 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0122 | 0.7389 | 1 |
| Mycobacterium ulcerans | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Echinococcus granulosus | inosine guanosine and xanthosine phosphorylase | 0.0122 | 0.7389 | 0.7389 |
| Toxoplasma gondii | phosphorylase family protein | 0.0032 | 0 | 0.5 |
| Mycobacterium tuberculosis | Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) | 0.0154 | 1 | 1 |
| Plasmodium falciparum | purine nucleoside phosphorylase | 0.0032 | 0 | 0.5 |
| Schistosoma mansoni | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Echinococcus granulosus | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Echinococcus multilocularis | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Treponema pallidum | uridine phosphorylase (udp) | 0.0032 | 0 | 0.5 |
| Echinococcus multilocularis | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Treponema pallidum | purine nucleoside phosphorylase (deoD) | 0.0032 | 0 | 0.5 |
| Entamoeba histolytica | purine nucleoside phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Trypanosoma brucei | methylthioadenosine phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Echinococcus multilocularis | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Onchocerca volvulus | Purine nucleoside phosphorylase homolog | 0.0154 | 1 | 0.5 |
| Echinococcus multilocularis | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Giardia lamblia | Purine nucleoside phosphorylase lateral transfer candidate | 0.0154 | 1 | 1 |
| Leishmania major | methylthioadenosine phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Chlamydia trachomatis | AMP nucleosidase | 0.0032 | 0 | 0.5 |
| Entamoeba histolytica | purine nucleoside phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Echinococcus granulosus | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Echinococcus granulosus | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Entamoeba histolytica | purine nucleoside phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Schistosoma mansoni | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Echinococcus multilocularis | purine nucleoside phosphorylase | 0.0122 | 0.7389 | 0.7389 |
| Entamoeba histolytica | purine nucleoside phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Echinococcus multilocularis | purine nucleoside phosphorylase | 0.0122 | 0.7389 | 0.7389 |
| Trypanosoma cruzi | nucleoside phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Entamoeba histolytica | MTA/SAH nucleosidase, putative | 0.0032 | 0 | 0.5 |
| Echinococcus granulosus | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Toxoplasma gondii | phosphorylase family protein | 0.0032 | 0 | 0.5 |
| Mycobacterium leprae | Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) | 0.0154 | 1 | 1 |
| Echinococcus granulosus | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Echinococcus granulosus | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Trypanosoma cruzi | methylthioadenosine phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Trypanosoma cruzi | nucleoside phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Entamoeba histolytica | purine nucleoside phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Echinococcus granulosus | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
| Plasmodium vivax | purine nucleoside phosphorylase, putative | 0.0032 | 0 | 0.5 |
| Echinococcus multilocularis | purine nucleoside phosphorylase | 0.0154 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Ki (binding) | = 0.22 uM | In vitro inhibition of purine nucleoside phosphorylase isolated from human erythrocytes. | ChEMBL. | 8632418 |
| Ki (binding) | = 0.22 uM | In vitro inhibition of purine nucleoside phosphorylase isolated from human erythrocytes. | ChEMBL. | 8632418 |
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.
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
- PubChem: 10521429
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.