Compound Detail
CHEMBL4872572
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Basic Information
| ChEMBL ID | CHEMBL4872572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NACDNYRCONOWLY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
4.03
ALogP
3
HBA
0
HBD
52.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1B) dopamine receptor CHEMBL1850 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| P2Y purinoceptor 6 CHEMBL4714 | IC50 | 5.18 | 5.18 | 6590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1B) dopamine receptor | Ki | = | 2100.0 | nM | 5.68 | Inhibition of dopamine D5 receptor (unknown origin) | 33831560 |
| P2Y purinoceptor 6 | IC50 | = | 6590.0 | nM | 5.18 | 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 | D(1B) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine