Detailed information for compound 913880
Basic information
Technical information
- Name: Unnamed compound
- MW: 288.155 | Formula: C5H10N2O6P2S
-
H donors: 5
H acceptors: 7
LogP: -2.58
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: OP(=O)(C(P(=O)(O)O)CSc1ncc[nH]1)O
- InChi: 1S/C5H10N2O6P2S/c8-14(9,10)4(15(11,12)13)3-16-5-6-1-2-7-5/h1-2,4H,3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
- InChiKey: KVMQBCIVXMEYRO-UHFFFAOYSA-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 | farnesyl diphosphate synthase | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Mycobacterium ulcerans | geranylgeranyl pyrophosphate synthase | 0.0124 | 1 | 1 |
| Mycobacterium ulcerans | geranylgeranyl pyrophosphate synthase | 0.0124 | 1 | 1 |
| Brugia malayi | Polyprenyl synthetase family protein | 0.0031 | 0.2 | 0.2 |
| Chlamydia trachomatis | geranylgeranyl pyrophosphate synthase | 0.0031 | 0.2 | 0.5 |
| Loa Loa (eye worm) | geranylgeranyl pyrophosphate synthetase | 0.0031 | 0.2 | 0.2 |
| Mycobacterium leprae | PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) | 0.0031 | 0.2 | 0.5 |
| Plasmodium vivax | geranylgeranyl pyrophosphate synthase | 0.0124 | 1 | 1 |
| Loa Loa (eye worm) | transcription factor SMAD2 | 0.0119 | 0.9568 | 0.9568 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0037 | 0.2472 | 0.2472 |
| Wolbachia endosymbiont of Brugia malayi | geranylgeranyl pyrophosphate synthase | 0.0031 | 0.2 | 0.5 |
| Trypanosoma cruzi | farnesyl pyrophosphate synthase | 0.0124 | 1 | 1 |
| Trypanosoma cruzi | farnesyl pyrophosphate synthase, putative | 0.0124 | 1 | 1 |
| Loa Loa (eye worm) | polyprenyl synthetase | 0.0031 | 0.2 | 0.2 |
| Echinococcus granulosus | farnesyl pyrophosphate synthase | 0.0124 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.2472 | 1 |
| Schistosoma mansoni | trans-prenyltransferase | 0.0031 | 0.2 | 0.2 |
| Echinococcus granulosus | prenyl decaprenyl diphosphate synthase | 0.0031 | 0.2 | 0.2 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.2472 | 1 |
| Giardia lamblia | Farnesyl diphosphate synthase | 0.0124 | 1 | 0.5 |
| Echinococcus granulosus | geranylgeranyl pyrophosphate synthase | 0.0031 | 0.2 | 0.2 |
| Echinococcus multilocularis | geranylgeranyl pyrophosphate synthase | 0.0031 | 0.2 | 0.2 |
| Echinococcus multilocularis | decaprenyl diphosphate synthase subunit 1 | 0.0031 | 0.2 | 0.2 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0037 | 0.2472 | 0.2472 |
| Echinococcus multilocularis | prenyl (decaprenyl) diphosphate synthase | 0.0031 | 0.2 | 0.2 |
| Loa Loa (eye worm) | polyprenyl synthetase | 0.0124 | 1 | 1 |
| Brugia malayi | geranylgeranyl pyrophosphate synthetase | 0.0031 | 0.2 | 0.2 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0037 | 0.2472 | 0.2472 |
| Brugia malayi | hypothetical protein | 0.0037 | 0.2472 | 0.2472 |
| Mycobacterium tuberculosis | Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) | 0.0124 | 1 | 1 |
| Trichomonas vaginalis | geranylgeranyl diphosphate synthase, putative | 0.0124 | 1 | 0.5 |
| Schistosoma mansoni | geranylgeranyl pyrophosphate synthase | 0.0031 | 0.2 | 0.2 |
| Wolbachia endosymbiont of Brugia malayi | geranylgeranyl pyrophosphate synthase | 0.0031 | 0.2 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.2472 | 1 |
| Treponema pallidum | octaprenyl-diphosphate synthase | 0.0031 | 0.2 | 0.5 |
| Brugia malayi | MH2 domain containing protein | 0.0119 | 0.9568 | 0.9568 |
| Echinococcus granulosus | decaprenyl diphosphate synthase subunit 1 | 0.0031 | 0.2 | 0.2 |
| Schistosoma mansoni | glutathione synthetase | 0.0031 | 0.2 | 0.2 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.2472 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0037 | 0.2472 | 0.2472 |
| Toxoplasma gondii | polyprenyl synthetase superfamily protein | 0.0124 | 1 | 1 |
| Leishmania major | farnesyl pyrophosphate synthase | 0.0124 | 1 | 1 |
| Trichomonas vaginalis | geranylgeranyl pyrophosphate synthase, putative | 0.0124 | 1 | 0.5 |
| Trichomonas vaginalis | geranylgeranyl pyrophosphate synthase, putative | 0.0124 | 1 | 0.5 |
| Trypanosoma brucei | farnesyl pyrophosphate synthase | 0.0124 | 1 | 1 |
| Loa Loa (eye worm) | MH2 domain-containing protein | 0.0119 | 0.9568 | 0.9568 |
| Plasmodium falciparum | geranylgeranyl pyrophosphate synthase, putative | 0.0124 | 1 | 1 |
| Echinococcus multilocularis | farnesyl pyrophosphate synthase | 0.0124 | 1 | 1 |
| Schistosoma mansoni | farnesyl pyrophosphate synthase | 0.0124 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 28.1 nM | Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3) | ChEMBL. | 18937434 |
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
- ChEMBL: CHEMBL504429
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.