Compound Detail
CHEMBL4856060
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Basic Information
| ChEMBL ID | CHEMBL4856060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIKDQKPQARRCAR-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
398.3
MW (Da)
3.50
ALogP
5
HBA
1
HBD
90.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.03
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.03 | 6.03 | 940.0 | 1 |
| P2Y purinoceptor 6 CHEMBL4714 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 5.9 | 5.9 | 1250.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 940.0 | nM | 6.03 | Inhibition of alpha2a adrenergic receptor (unknown origin) | 33831560 |
| P2Y purinoceptor 6 | IC50 | = | 1200.0 | nM | 5.92 | Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells asses... | 33831560 |
| D(1B) dopamine receptor | Ki | = | 1250.0 | nM | 5.9 | Inhibition of dopamine D5 receptor (unknown origin) | 33831560 |
| D(3) dopamine receptor | Ki | = | 1700.0 | nM | 5.77 | Inhibition of dopamine D3 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 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine