Compound Detail
CHEMBL4851349
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4851349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXRYWEUVCDCBRM-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.85
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 6 CHEMBL4714 | IC50 | 6.11 | 6.11 | 785.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 5.38 | 5.38 | 4200.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 6 | IC50 | = | 785.0 | nM | 6.11 | Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells asses... | 33831560 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1400.0 | nM | 5.85 | Inhibition of sigma 1 receptor (unknown origin) | 33831560 |
| D(1B) dopamine receptor | Ki | = | 4200.0 | nM | 5.38 | Inhibition of dopamine D5 receptor (unknown origin) | 33831560 |
| Alpha-2A adrenergic receptor | Ki | = | 4700.0 | nM | 5.33 | Inhibition of alpha2a adrenergic receptor (unknown origin) | 33831560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33831560 | 10.1016/j.bmcl.2021.128008 | P2Y purinoceptor 6 | 1 |
| 33831560 | 10.1016/j.bmcl.2021.128008 | Alpha-2A adrenergic receptor | 1 |
| 33831560 | 10.1016/j.bmcl.2021.128008 | D(1B) dopamine receptor | 1 |
| 33831560 | 10.1016/j.bmcl.2021.128008 | Sigma non-opioid intracellular receptor 1 | 1 |
| 36089113 | 10.1016/j.bmcl.2022.128981 | P2Y purinoceptor 1 | 1 |
| 36089113 | 10.1016/j.bmcl.2022.128981 | P2Y purinoceptor 2 | 1 |
| 36089113 | 10.1016/j.bmcl.2022.128981 | P2Y purinoceptor 4 | 1 |
| 36089113 | 10.1016/j.bmcl.2022.128981 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine