Detailed information for compound 287214
Basic information
Technical information
- Name: Unnamed compound
- MW: 280.283 | Formula: C11H16N6O3
-
H donors: 4
H acceptors: 5
LogP: -1.37
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: OCC1OCC(CC1O)n1cnc2c1nc(N)nc2N
- InChi: 1S/C11H16N6O3/c12-9-8-10(16-11(13)15-9)17(4-14-8)5-1-6(19)7(2-18)20-3-5/h4-7,18-19H,1-3H2,(H4,12,13,15,16)
- InChiKey: MEUPTMSSUCZTFT-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
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 |
|---|---|---|---|---|
| Onchocerca volvulus | 0.1008 | 0.4839 | 1 | |
| Plasmodium vivax | hexose transporter | 0.0055 | 0 | 0.5 |
| Schistosoma mansoni | glucose transport protein | 0.0055 | 0 | 0.5 |
| Onchocerca volvulus | Adenylate cyclase type 2 homolog | 0.1008 | 0.4839 | 1 |
| Echinococcus granulosus | adenylate cyclase 9 | 0.1008 | 0.4839 | 0.9484 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0055 | 0 | 0.5 |
| Echinococcus multilocularis | adenylate cyclase 9 | 0.1008 | 0.4839 | 0.9484 |
| Schistosoma mansoni | glucose transport protein | 0.0055 | 0 | 0.5 |
| Onchocerca volvulus | Adenylate cyclase type 3 homolog | 0.1008 | 0.4839 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0055 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.1008 | 0.4839 | 0.4839 |
| Echinococcus multilocularis | adenylate cyclase type IX | 0.106 | 0.5102 | 1 |
| Plasmodium falciparum | hexose transporter | 0.0055 | 0 | 0.5 |
| Toxoplasma gondii | facilitative glucose transporter GT1 | 0.0055 | 0 | 0.5 |
| Schistosoma mansoni | glucose transport protein | 0.0055 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0965 | 0.4621 | 0.4621 |
| Brugia malayi | Adenylyl cyclase protein | 0.1008 | 0.4839 | 1 |
| Echinococcus granulosus | adenylate cyclase type IX | 0.106 | 0.5102 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| CC50 (functional) | = 25 ug ml-1 | Tested for the cytotoxic concentration, required to reduce cell growth by 50% in human embryonic lung (HEL) cells. | ChEMBL. | 7877148 |
| CC50 (functional) | = 25 ug ml-1 | Tested for the cytotoxic concentration, required to reduce cell growth by 50% in human embryonic lung (HEL) cells. | ChEMBL. | 7877148 |
| IC50 (functional) | = 0.8 ug ml-1 | Tested for the inhibitory concentration required to reduce cytomegalovirus (CMV) strain Davis plaque formation by 50%. | ChEMBL. | 7877148 |
| IC50 (functional) | = 0.8 ug ml-1 | Tested for the inhibitory concentration required to reduce cytomegalovirus (CMV) strain Davis plaque formation by 50%. | ChEMBL. | 7877148 |
| IC50 (functional) | = 1.2 ug ml-1 | Tested for the inhibitory concentration required to reduce TK+ varicella-zoster virus (TK+ VZV) strain OKA plaque formation by 50%. | ChEMBL. | 7877148 |
| IC50 (functional) | = 1.2 ug ml-1 | Tested for the inhibitory concentration required to reduce TK+ varicella-zoster virus (TK+ VZV) strain OKA plaque formation by 50%. | ChEMBL. | 7877148 |
| IC50 (functional) | = 2 ug ml-1 | Tested for the inhibitory concentration required to reduce TK+ varicella-zoster virus (TK+ VZV) strain YS plaque formation by 50% | ChEMBL. | 7877148 |
| IC50 (functional) | = 2 ug ml-1 | Tested for the inhibitory concentration required to reduce cytomegalovirus (CMV) strain AD-169 plaque formation by 50%. | ChEMBL. | 7877148 |
| IC50 (functional) | = 2 ug ml-1 | Tested for the inhibitory concentration required to reduce TK+ varicella-zoster virus (TK+ VZV) strain YS plaque formation by 50% | ChEMBL. | 7877148 |
| IC50 (functional) | = 2 ug ml-1 | Tested for the inhibitory concentration required to reduce cytomegalovirus (CMV) strain AD-169 plaque formation by 50%. | ChEMBL. | 7877148 |
| IC50 (functional) | = 2.4 ug ml-1 | Tested for the inhibitory concentration required to reduce thymidine kinase deficient varicella-zoster virus (TK- VZV) strain 07/1 plaque formation by 50%. | ChEMBL. | 7877148 |
| IC50 (functional) | = 2.4 ug ml-1 | Tested for the inhibitory concentration required to reduce thymidine kinase deficient varicella-zoster virus (TK- VZV) strain 07/1 plaque formation by 50%. | ChEMBL. | 7877148 |
| IC50 (functional) | = 5 ug ml-1 | Tested for the inhibitory concentration required to reduce thymidine kinase deficient varicella-zoster virus (TK- VZV) strain YS/R plaque formation by 50%. | ChEMBL. | 7877148 |
| IC50 (functional) | = 5 ug ml-1 | Tested for the inhibitory concentration required to reduce thymidine kinase deficient varicella-zoster virus (TK- VZV) strain YS/R plaque formation by 50%. | ChEMBL. | 7877148 |
| MCC (functional) | > 400 ug ml-1 | Tested for the minimum cytotoxic concentration required to cause a microscopically detectable alteration of normal cell morphology in human embryonic skin muscle (E6SM) fibroblast cell cultures. | ChEMBL. | 7877148 |
| MCC (functional) | > 400 ug ml-1 | Tested for the minimum cytotoxic concentration required to cause a microscopically detectable alteration of normal cell morphology in human embryonic skin muscle (E6SM) fibroblast cell cultures. | ChEMBL. | 7877148 |
| MIC (functional) | = 0.2 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce herpes simplex virus type 1 (HSV-1) strain KOS induced cytopathogenicity by 50%. | ChEMBL. | 7877148 |
| MIC (functional) | = 0.2 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce herpes simplex virus type 1 (HSV-1) strain KOS induced cytopathogenicity by 50%. | ChEMBL. | 7877148 |
| MIC (functional) | = 0.7 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce herpes simplex virus type 1 (HSV-2) strain G induced cytopathogenicity by 50%. | ChEMBL. | 7877148 |
| MIC (functional) | = 0.7 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce herpes simplex virus type 1 (TK- / TK+ HSV-1) strain VMW-1837 induced cytopathogenicity by 50%. | ChEMBL. | 7877148 |
| MIC (functional) | = 0.7 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce herpes simplex virus type 1 (HSV-2) strain G induced cytopathogenicity by 50%. | ChEMBL. | 7877148 |
| MIC (functional) | = 0.7 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce herpes simplex virus type 1 (TK- / TK+ HSV-1) strain VMW-1837 induced cytopathogenicity by 50%. | ChEMBL. | 7877148 |
| MIC (functional) | = 7 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce thymidine kinase deficient herpes simplex virus type 1 (TK- HSV-1) strain B2006 induced cytopathogenicity by 50%. | ChEMBL. | 7877148 |
| MIC (functional) | = 7 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce vaccinia virus(VV) induced cytopathogenicity by 50%. | ChEMBL. | 7877148 |
| MIC (functional) | = 7 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce thymidine kinase deficient herpes simplex virus type 1 (TK- HSV-1) strain B2006 induced cytopathogenicity by 50%. | ChEMBL. | 7877148 |
| MIC (functional) | = 7 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce vaccinia virus(VV) induced cytopathogenicity by 50%. | ChEMBL. | 7877148 |
| MIC (functional) | > 200 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce vesicular stomatitis virus(VSV) induced cytopathogenicity by 50% | ChEMBL. | 7877148 |
| MIC (functional) | > 200 ug ml-1 | Tested for the minimum inhibitory concentration required to reduce vesicular stomatitis virus(VSV) induced cytopathogenicity by 50% | ChEMBL. | 7877148 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | 7877148 |
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
No external resources registered for this compound
Bibliographic References
1 literature reference was collected for this gene.
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