Compound Detail
CHEMBL4848838
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 | CHEMBL4848838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVXPWLPUGMYBAI-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
2.12
ALogP
4
HBA
1
HBD
81.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.96
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1B) dopamine receptor CHEMBL1850 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.17 | 5.17 | 6700.0 | 1 |
| P2Y purinoceptor 6 CHEMBL4714 | IC50 | 5.12 | 5.12 | 7670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1B) dopamine receptor | Ki | = | 1100.0 | nM | 5.96 | Inhibition of dopamine D5 receptor (unknown origin) | 33831560 |
| Alpha-2A adrenergic receptor | Ki | = | 2200.0 | nM | 5.66 | Inhibition of alpha2a adrenergic receptor (unknown origin) | 33831560 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4400.0 | nM | 5.36 | Inhibition of sigma 1 receptor (unknown origin) | 33831560 |
| Alpha-2B adrenergic receptor | Ki | = | 6700.0 | nM | 5.17 | Inhibition of alpha2b adrenergic receptor (unknown origin) | 33831560 |
| P2Y purinoceptor 6 | IC50 | = | 7670.0 | nM | 5.12 | Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells asses... | 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 |
| 33831560 | 10.1016/j.bmcl.2021.128008 | Alpha-2B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine