Compound Detail
CHEMBL2181943
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[BH3-][P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(SC)nc32)[C@H](O)[C@@H]1O)OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL2181943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBNGHUVHRVWRPJ-QSYGCOILSA-K |
| Parent Compound | CHEMBL2448336 |
| Active Moiety | CHEMBL2448336 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL2497 | EC50 | 8.59 | 8.07 | 2.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 2.6 | nM | 8.59 | Agonist activity at rat P2Y1R expressed in HEK293 cells assessed as release of i... | 22873688 |
| P2Y purinoceptor 1 | EC50 | = | 28.1 | nM | 7.55 | Agonist activity at rat P2Y1R assessed as glucose-dependent insulin secretion | 22873688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22873688 | 10.1021/jm3006355 | P2Y purinoceptor 1 | 3 |
Data from ChEMBL 36 via Core Engine