Compound Detail
CHEMBL2086761
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B[P@@](=O)(OC[C@H]1O[C@@H](n2cc(OC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL2086761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTUUJYMWHSXGMZ-KJHGUJGESA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
430.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 6 CHEMBL4714 | EC50 | 8.1 | 8.1 | 8.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 21.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 6 | EC50 | = | 8.0 | nM | 8.1 | Agonist activity at human GFP-tagged P2Y6 receptor expressed in human 1321N1 cel... | 22901672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22901672 | 10.1016/j.bmc.2012.07.042 | Serum | 3 |
| 22901672 | 10.1016/j.bmc.2012.07.042 | P2Y purinoceptor 6 | 2 |
| 22901672 | 10.1016/j.bmc.2012.07.042 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | 1 |
| 22901672 | 10.1016/j.bmc.2012.07.042 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 1 |
| 22901672 | 10.1016/j.bmc.2012.07.042 | P2Y purinoceptor 2 | 1 |
| 22901672 | 10.1016/j.bmc.2012.07.042 | P2Y purinoceptor 4 | 1 |
Data from ChEMBL 36 via Core Engine