Compound Detail
CHEMBL4876210
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Basic Information
| ChEMBL ID | CHEMBL4876210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGTJUOYBNMSGRC-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
245.2
MW (Da)
2.63
ALogP
3
HBA
0
HBD
52.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 6 CHEMBL4714 | IC50 | 5.54 | 5.455 | 2910.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 6 | IC50 | = | 2910.0 | nM | 5.54 | Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells asses... | 33831560 |
| P2Y purinoceptor 6 | IC50 | = | 2910.0 | nM | 5.54 | Antagonist activity at human P2Y6R expressed in human 1321N1 cells assessed as i... | 36089113 |
| P2Y purinoceptor 6 | IC50 | = | 4300.0 | nM | 5.37 | Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells asses... | 33831560 |
| P2Y purinoceptor 6 | IC50 | = | 4300.0 | nM | 5.37 | Antagonist activity at P2Y6R (unknown origin) assessed as inhibition of UDP-indu... | 37078976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33831560 | 10.1016/j.bmcl.2021.128008 | P2Y purinoceptor 6 | 3 |
| 36089113 | 10.1016/j.bmcl.2022.128981 | P2Y purinoceptor 6 | 2 |
| 36089113 | 10.1016/j.bmcl.2022.128981 | Unchecked | 1 |
| 37078976 | 10.1021/acs.jmedchem.3c00210 | P2Y purinoceptor 6 | 1 |
Data from ChEMBL 36 via Core Engine